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Added standard InChi key & string for Methyl Oleate

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Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/5364509#section=Names-and-Identifiers
This commit is contained in:
Chris Neal
2018-05-10 17:09:57 -04:00
committed by GitHub
parent dfdfd0e2af
commit ddf3e6aefe
1 changed files with 3 additions and 3 deletions
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6
dev/fluids/MethylOleate.json
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@@ -399,8 +399,8 @@
"PH": 0
},
"FORMULA": "C_{19}H_{36}O_{2}",
"INCHI_KEY": "QYDYPVFESGNLHU-KHPPLWFEBA",
"INCHI_STRING": "InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-",
"INCHI_KEY": "QYDYPVFESGNLHU-KHPPLWFESA-N",
"INCHI_STRING": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-",
"NAME": "MethylOleate",
"REFPROP_NAME": "MOLEATE",
"SMILES": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC"
@@ -443,4 +443,4 @@
"smolar_units": "J/mol/K"
}
}
}
}