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https://github.com/CoolProp/CoolProp.git
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3096 lines
60 KiB
JSON
3096 lines
60 KiB
JSON
[
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{
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"CAS": "74-82-8",
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"aliases": [
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"METHANE"
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],
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"name": "METHANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "74-84-0",
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"aliases": [
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"ETHANE"
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],
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"name": "ETHANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "74-98-6",
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"PROPANE"
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],
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"molemass": 0.044096,
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"name": "PROPANE",
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},
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{
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"CAS": "106-97-8",
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"BUTANE",
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"u_units": "K",
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"molemass": 0.055123,
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"name": "N-BUTANE",
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},
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{
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"CAS": "109-66-0",
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"aliases": [
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"PENTANE",
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"name": "N-PENTANE",
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},
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{
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"aliases": [
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"HEXANE",
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"name": "N-HEXANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "142-82-5",
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"aliases": [
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"HEPTANE",
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"name": "N-HEPTANE",
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},
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{
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"aliases": [
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"OCTANE",
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"name": "N-OCTANE",
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},
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{
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"CAS": "111-84-2",
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"aliases": [
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"NONANE",
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"N-NONANE"
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],
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"u_units": "K",
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"name": "N-NONANE",
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},
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{
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"CAS": "124-18-5",
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"name": "N-DECANE",
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},
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{
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"CAS": "1120-21-4",
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"aliases": [
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"UNDECANE",
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"u_units": "K",
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"molemass": 0.156312,
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"name": "N-UNDECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "112-40-3",
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"aliases": [
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"DODECANE",
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"N-DODECANE"
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],
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"m": 5.3060,
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"sigma": 3.8959,
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"u": 249.21,
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"u_units": "K",
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"molemass": 0.170338,
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"molemass_units": "kg/mol",
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"name": "N-DODECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "629-50-5",
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"aliases": [
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"TRIDECANE",
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"N-TRIDECANE"
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],
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"m": 5.6877,
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"sigma": 3.9143,
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"u": 249.78,
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"u_units": "K",
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"molemass": 0.184365,
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"molemass_units": "kg/mol",
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"name": "N-TRIDECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "629-59-4",
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"aliases": [
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"TETRADECANE",
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"N-TETRADECANE"
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],
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"u": 254.21,
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"u_units": "K",
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"molemass": 0.198392,
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"name": "N-TETRADECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "629-62-9",
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"aliases": [
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"PENTADECANE",
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"name": "N-PENTADECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"aliases": [
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"HEXADECANE",
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"name": "N-HEXADECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"aliases": [
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"HEPTADECANE",
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"name": "N-HEPTADECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "593-45-3",
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"aliases": [
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"OCTADECANE",
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"N-OCTADECANE"
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],
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"sigma": 3.9668,
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"u": 256.20,
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"name": "N-OCTADECANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "629-92-5",
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"aliases": [
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"NONADECANE",
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"N-NONADECANE"
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"sigma": 3.9721,
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"name": "N-NONADECANE",
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},
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{
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"EICOSANE",
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"N-EICOSANE"
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],
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"name": "N-EICOSANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "75-28-5",
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"aliases": [
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"ISOBUTANE",
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"2-METHYLPROPANE"
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],
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"m": 2.2616,
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"sigma": 3.7574,
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"name": "ISOBUTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "78-78-4",
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"aliases": [
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"ISOPENTANE",
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"molemass": 0.07215,
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"name": "ISOPENTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "463-82-1",
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"aliases": [
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"NEOPENTANE",
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"2,2-DIMETHYLPROPANE"
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],
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"m": 2.3543,
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"sigma": 3.9550,
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"name": "NEOPENTANE",
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},
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{
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"2-METHYLPENTANE",
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"ISOHEXANE"
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"name": "2-METHYLPENTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "75-83-2",
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"aliases": [
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"2,2-DIMETHYLBUTANE",
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"NEOHEXANE"
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"u": 243.51,
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"molemass": 0.086177,
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"name": "2,2-DIMETHYLBUTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "79-29-8",
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"aliases": [
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"2,3-DIMETHYLBUTANE",
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"DIISOPROPYL"
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],
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"m": 2.6853,
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"sigma": 3.9545,
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"sigma_units": "Angstrom",
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"u_units": "K",
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"molemass": 0.086177,
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"name": "2,3-DIMETHYLBUTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "96-14-0",
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"aliases": [
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"3-METHYLPENTANE"
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],
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"sigma": 3.8605,
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"u_units": "K",
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"molemass": 0.086177,
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"molemass_units": "kg/mol",
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"name": "3-METHYLPENTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "591-76-4",
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"aliases": [
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"2-METHYLHEXANE"
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],
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"molemass": 0.100204,
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"molemass_units": "kg/mol",
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"name": "2-METHYLHEXANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "287-92-3",
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"aliases": [
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"CYCLOPENTANE"
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],
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"m": 2.3655,
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"sigma": 3.7114,
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"u": 265.83,
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"molemass": 0.07013,
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"molemass_units": "kg/mol",
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"name": "CYCLOPENTANE",
|
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"BibTeX": "Gross-IECR-2001"
|
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},
|
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{
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"CAS": "110-82-7",
|
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"aliases": [
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"CYCLOHEXANE"
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"m": 2.5303,
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"sigma": 3.8499,
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"u": 278.11,
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"molemass": 0.084147,
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"molemass_units": "kg/mol",
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"name": "CYCLOHEXANE",
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"BibTeX": "Gross-IECR-2001"
|
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},
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{
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"CAS": "96-37-7",
|
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"aliases": [
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"METHYLCYCLOPENTANE"
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],
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"sigma": 3.8253,
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"u": 265.12,
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"u_units": "K",
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"molemass": 0.084156,
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"molemass_units": "kg/mol",
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"name": "METHYLCYCLOPENTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "108-87-2",
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"aliases": [
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"METHYLCYCLOHEXANE"
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],
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"m": 2.6637,
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"sigma": 3.9993,
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"sigma_units": "Angstrom",
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"u": 282.33,
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"u_units": "K",
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"molemass": 0.098182,
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"molemass_units": "kg/mol",
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"name": "METHYLCYCLOHEXANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "1640-89-7",
|
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"aliases": [
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"ETHYLCYCLOPENTANE"
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],
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"m": 2.9062,
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"sigma": 3.8873,
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"sigma_units": "Angstrom",
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"u": 270.50,
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"u_units": "K",
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"molemass": 0.098182,
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"molemass_units": "kg/mol",
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"name": "ETHYLCYCLOPENTANE",
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"BibTeX": "Gross-IECR-2001"
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},
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{
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"CAS": "1678-91-7",
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"aliases": [
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"ETHYLCYCLOHEXANE"
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],
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"m": 2.8256,
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"sigma": 4.1039,
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"sigma_units": "Angstrom",
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|
|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
|
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|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "ARGON",
|
|
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|
|
},
|
|
{
|
|
"CAS": "124-38-9",
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"molemass": 0.064065,
|
|
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|
|
"name": "SULFUR DIOXIDE",
|
|
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|
|
},
|
|
{
|
|
"CAS": "1333-74-0",
|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
"u": 19.2775,
|
|
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|
|
"molemass": 0.00201588,
|
|
"molemass_units": "kg/mol",
|
|
"name": "HYDROGEN",
|
|
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|
|
},
|
|
{
|
|
"CAS": "7782-50-5",
|
|
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|
|
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|
|
],
|
|
"m": 1.5514,
|
|
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|
|
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|
|
"u": 265.67,
|
|
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|
|
"molemass": 0.070905,
|
|
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|
|
"name": "CHLORINE",
|
|
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|
|
},
|
|
{
|
|
"CAS": "75-15-0",
|
|
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|
|
"CARBON DISULFIDE"
|
|
],
|
|
"m": 1.6919,
|
|
"sigma": 3.6172,
|
|
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|
|
"u": 334.82,
|
|
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|
|
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|
|
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|
|
"name": "CARBON DISULFIDE",
|
|
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|
|
},
|
|
{
|
|
"CAS": "75-00-3",
|
|
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|
|
"CHLOROETHANE"
|
|
],
|
|
"m": 2.2638,
|
|
"sigma": 3.4160,
|
|
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|
|
"u": 245.43,
|
|
"u_units": "K",
|
|
"molemass": 0.064514,
|
|
"molemass_units": "kg/mol",
|
|
"name": "CHLOROETHANE",
|
|
"BibTeX": "Gross-IECR-2001"
|
|
},
|
|
{
|
|
"CAS": "75-29-6",
|
|
"aliases": [
|
|
"2-CHLOROPROPANE"
|
|
],
|
|
"m": 2.4151,
|
|
"sigma": 3.6184,
|
|
"sigma_units": "Angstrom",
|
|
"u": 251.47,
|
|
"u_units": "K",
|
|
"molemass": 0.078541,
|
|
"molemass_units": "kg/mol",
|
|
"name": "2-CHLOROPROPANE",
|
|
"BibTeX": "Gross-IECR-2001"
|
|
},
|
|
{
|
|
"CAS": "109-69-3",
|
|
"aliases": [
|
|
"1-CHLOROBUTANE"
|
|
],
|
|
"m": 2.8585,
|
|
"sigma": 3.6424,
|
|
"sigma_units": "Angstrom",
|
|
"u": 258.66,
|
|
"u_units": "K",
|
|
"molemass": 0.092568,
|
|
"molemass_units": "kg/mol",
|
|
"name": "1-CHLOROBUTANE",
|
|
"BibTeX": "Gross-IECR-2001"
|
|
},
|
|
{
|
|
"CAS": "108-90-7",
|
|
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|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
|
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|
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|
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|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.4508,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.6735,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.7145,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.7292,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.2085,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.9053,
|
|
"sigma_units": "Angstrom",
|
|
"u": 266.01,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
"name": "2-METHYL-2-BUTANOL",
|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 2.8906,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "1-PROPYLAMINE",
|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "2-PROPYLAMINE",
|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
"name": "ANILINE",
|
|
"BibTeX": "Gross-IECR-2002"
|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
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|
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|
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|
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|
|
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|
|
},
|
|
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|
|
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|
|
"aliases": [
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
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|
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|
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|
|
},
|
|
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|
|
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|
|
"aliases": [
|
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|
|
],
|
|
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|
|
"sigma": 2.8449,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
"aliases": [
|
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|
|
],
|
|
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|
|
"sigma": 2.8232,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "Na+",
|
|
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|
|
},
|
|
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|
|
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|
|
"aliases": [
|
|
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|
|
],
|
|
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|
|
"sigma": 3.3417,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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"name": "K+",
|
|
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|
|
},
|
|
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|
|
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|
|
"aliases": [
|
|
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|
|
],
|
|
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|
|
"sigma": 3.9246,
|
|
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|
|
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|
|
"u_units": "K",
|
|
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|
|
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|
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|
|
"name": "Cs+",
|
|
"BibTeX": "Held-CERD-2014"
|
|
},
|
|
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|
|
"CAS": "14798-03-9",
|
|
"aliases": [
|
|
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|
|
"AMMONIUM"
|
|
],
|
|
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|
|
"sigma": 3.5740,
|
|
"sigma_units": "Angstrom",
|
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|
|
"u_units": "K",
|
|
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|
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|
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|
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"name": "NH4+",
|
|
"BibTeX": "Held-CERD-2014"
|
|
},
|
|
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|
|
"CAS": "16984-48-8",
|
|
"aliases": [
|
|
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|
|
"FLUORIDE"
|
|
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|
|
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|
|
"sigma": 1.7712,
|
|
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|
|
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|
|
"u_units": "K",
|
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|
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|
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"molemass_units": "kg/mol",
|
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"name": "F-",
|
|
"BibTeX": "Held-CERD-2014"
|
|
},
|
|
{
|
|
"CAS": "16887-00-6",
|
|
"aliases": [
|
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|
|
"CHLORIDE"
|
|
],
|
|
"m": 1,
|
|
"sigma": 2.7560,
|
|
"sigma_units": "Angstrom",
|
|
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|
|
"u_units": "K",
|
|
"charge": -1,
|
|
"molemass": 0.03545,
|
|
"molemass_units": "kg/mol",
|
|
"name": "Cl-",
|
|
"BibTeX": "Held-CERD-2014"
|
|
},
|
|
{
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 2.8472,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "ACETONE",
|
|
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|
|
},
|
|
{
|
|
"CAS": "78-93-3",
|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.4239,
|
|
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|
|
"u": 244.99,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "2-BUTANONE",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "107-87-9",
|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.4942,
|
|
"sigma_units": "Angstrom",
|
|
"u": 246.66,
|
|
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|
|
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|
|
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|
|
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|
|
"molemass": 0.086134,
|
|
"molemass_units": "kg/mol",
|
|
"name": "2-PENTANONE",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "96-22-0",
|
|
"aliases": [
|
|
"3-PENTANONE"
|
|
],
|
|
"m": 3.2786,
|
|
"sigma": 3.5159,
|
|
"sigma_units": "Angstrom",
|
|
"u": 248.69,
|
|
"u_units": "K",
|
|
"dipm": 2.82,
|
|
"dipm_units": "Debye",
|
|
"dipnum": 1,
|
|
"molemass": 0.086134,
|
|
"molemass_units": "kg/mol",
|
|
"name": "3-PENTANONE",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "591-78-6",
|
|
"aliases": [
|
|
"2-HEXANONE"
|
|
],
|
|
"m": 3.58,
|
|
"sigma": 3.5868,
|
|
"sigma_units": "Angstrom",
|
|
"u": 254.99,
|
|
"u_units": "K",
|
|
"dipm": 2.7,
|
|
"dipm_units": "Debye",
|
|
"dipnum": 1,
|
|
"molemass": 0.10016,
|
|
"molemass_units": "kg/mol",
|
|
"name": "2-HEXANONE",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "589-38-8",
|
|
"aliases": [
|
|
"3-HEXANONE"
|
|
],
|
|
"m": 3.6018,
|
|
"sigma": 3.5688,
|
|
"sigma_units": "Angstrom",
|
|
"u": 251.28,
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.6905,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "927-49-1",
|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.6066,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"sigma": 3.7125,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
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|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.714,
|
|
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|
|
"u": 331.56,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
"CAS": "67-68-5",
|
|
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|
|
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|
|
],
|
|
"m": 3.0243,
|
|
"sigma": 3.2427,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "DIMETHYL SULFOXIDE",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "75-05-8",
|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "ACETONITRILE",
|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.3996,
|
|
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|
|
"u": 227.57,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
"CAS": "107-12-0",
|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.3981,
|
|
"sigma_units": "Angstrom",
|
|
"u": 239.15,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.4585,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.1338,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.4608,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
},
|
|
{
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "R22",
|
|
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|
|
},
|
|
{
|
|
"CAS": "811-97-2",
|
|
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|
|
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|
|
],
|
|
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|
|
"sigma": 3.0557,
|
|
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|
|
"u": 165.96,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"name": "R134A",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "354-33-6",
|
|
"aliases": [
|
|
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|
|
],
|
|
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|
|
"sigma": 3.1294,
|
|
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|
|
"u": 154.31,
|
|
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|
|
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|
|
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|
|
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|
|
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|
|
"molemass_units": "kg/mol",
|
|
"name": "R125",
|
|
"BibTeX": "Kleiner-JPCC-2007"
|
|
},
|
|
{
|
|
"CAS": "64-19-7",
|
|
"aliases": [
|
|
"ACETIC ACID",
|
|
"ETHANOIC ACID"
|
|
],
|
|
"m": 1.3403,
|
|
"sigma": 3.8582,
|
|
"sigma_units": "Angstrom",
|
|
"u": 211.59,
|
|
"u_units": "K",
|
|
"uAB": 3044.4,
|
|
"uAB_units": "K",
|
|
"volA": 0.07555,
|
|
"volA_units": "Angstrom^3",
|
|
"assocScheme": [
|
|
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|
|
],
|
|
"molemass": 0.060052,
|
|
"molemass_units": "kg/mol",
|
|
"name": "ACETIC ACID",
|
|
"BibTeX": "Gross-IECR-2002"
|
|
}
|
|
]
|