{ "ANCILLARIES": { "hL": { "A": [ -59578.31581919583, 163.6773518842145, 0.8865682060481439, -0.007904099729838864, 3.263881102288239e-05, -7.843354763959481e-08, 1.016804027114871e-10, -5.5812487683644466e-14 ], "B": [ 1, -0.0023698255351608222 ], "Tmax": 417.99, "Tmin": 132.4, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 335.0438904562552, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 30688.255872116257, 35.521069639614055, -2.377561218962597, 0.018901459023863542, -8.038158618689064e-05, 1.9567662964939077e-07, -2.572775340724635e-10, 1.4293353588874307e-13 ], "B": [ 1, -0.002365745485139538 ], "Tmax": 417.99, "Tmin": 132.4, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 692.1022926549736, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 418.09, "Tmax": 418.08999999999907, "Tmin": 132.4, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.14739891561160734, "n": [ 0.01737687722206489, -6.134166125080951, -3.853515831640818, 8.384924413254762, -243.10740943312803, 365.4747247586171 ], "reducing_value": 4009800.0, "t": [ 0.354, 0.969, 4.231, 10.316, 16.968, 18.914 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 418.09, "Tmax": 418.08999999999907, "Tmin": 132.4, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.6248238395114569, "n": [ 3.836064588981606, -8.505454480687774, 12.985006905703951, -10.011005004151073, 5.376836540123832, -10.94925598220989 ], "reducing_value": 4170.0, "t": [ 0.444, 0.979, 1.37, 2.24, 3.344, 13.946 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 418.09, "Tmax": 418.08999999999907, "Tmin": 132.4, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.35084693470349704, "n": [ -8.729642476739642, 6.811506526700638, -6.411697069038467, 5.7983193722867306, -6.559199615514519, -12.258975766186447 ], "reducing_value": 4170.0, "t": [ 0.507, 0.607, 1.205, 1.898, 3.194, 18.774 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -360.6895477139788, 3.394148716120348, -0.018443517336045056, 7.098896421847135e-05, -1.7961150145436994e-07, 2.759093827856928e-10, -2.3068567536713594e-13, 7.73886272545705e-17 ], "B": [ 1, -0.0023681627791073074 ], "Tmax": 417.99, "Tmin": 132.4, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.8397885124774085, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1090.3218500949679, -17.87249161927589, 0.14621189925843728, -0.0007203125070378386, 2.212039805770386e-06, -4.149778430882853e-09, 4.355987232237954e-12, -1.9594534608723394e-15 ], "B": [ 1, -0.0023468621318243595 ], "Tmax": 417.99, "Tmin": 132.4, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.1936352359971556, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 418.09, "a": [ 0.0545 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.23 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Lemmon-FPE-2005", "STATES": { "hs_anchor": { "T": 459.899, "T_units": "K", "hmolar": 33425.00207294383, "hmolar_units": "J/mol", "p": 6480840.914100938, "p_units": "Pa", "rhomolar": 3753.0, "rhomolar_units": "mol/m^3", "smolar": 88.9684754307369, "smolar_units": "J/mol/K" }, "reducing": { "T": 418.09, "T_units": "K", "hmolar": 26727.58401574626, "hmolar_units": "J/mol", "p": 4009800, "p_units": "Pa", "rhomolar": 4170, "rhomolar_units": "mol/m^3", "smolar": 75.11582657770936, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 132.4, "T_units": "K", "hmolar": -15195.559809785855, "hmolar_units": "J/mol", "p": 0.6761899977345366, "p_units": "Pa", "rhomolar": 13666.751920875635, "rhomolar_units": "mol/m^3", "smolar": -78.57654913171493, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 132.4, "T_units": "K", "hmolar": 13286.067352403732, "hmolar_units": "J/mol", "p": 0.6761899977345366, "p_units": "Pa", "rhomolar": 0.0006142573848970569, "rhomolar_units": "mol/m^3", "smolar": 136.54144888139493, "smolar_units": "J/mol/K" } }, "T_max": 550, "T_max_units": "K", "Ttriple": 132.4, "Ttriple_units": "K", "acentric": 0.1925934521621, "acentric_units": "-", "alpha0": [ { "a1": -0.12737888, "a2": 2.3125128, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 4.8924, 7.832, 7.2867, 8.7293 ], "t": [ 0.9543399746466072, 3.037623478198474, 4.795618168336961, 9.60797914324667 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 1, 1, 1, 2, 3, 7, 2, 5, 1, 4, 3, 4 ], "l": [ 0, 0, 0, 0, 0, 0, 1, 1, 2, 2, 3, 3 ], "n": [ 0.77111, -2.7971, 1.0118, 0.02073, 0.085086, 0.00021968, 0.20633, -0.078843, -0.23726, -0.080211, -0.027001, 0.013072 ], "t": [ 0.12, 1.3, 1.74, 2.1, 0.28, 0.69, 0.75, 2, 4.4, 4.7, 15, 14 ], "type": "ResidualHelmholtzPower" } ], "critical_region_splines": { "T_max": 418.09000000000003, "T_min": 418.08950991019015, "_note": "Coefficients for the critical cubic spline. T = c[0]*rho^3 + c[1]*rho^2 + c[2]*rho + c[3] with rho in mol/m^3 and T in K", "cL": [ 0.0, 0.0, -2.3926474256584434e-05, 418.18977339765 ], "cV": [ 0.0, 0.0, 2.5211881942311312e-05, 417.9848664523006 ], "rhomolar_max": 4190.48316039618, "rhomolar_min": 4150.5611571944355 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.05610631999999999, "molar_mass_units": "kg/mol", "p_max": 50000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7957", "ALIASES": [ "Isobutene", "ISOBUTENE", "IBUTENE" ], "CAS": "115-11-7", "CHEMSPIDER_ID": 7957, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 4, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "Isobutene", "ODP": -1.0, "PH": 2 }, "FORMULA": "C_{4}H_{8}", "INCHI_KEY": "VQTUBCCKSQIDNK-UHFFFAOYAW", "INCHI_STRING": "InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3", "NAME": "IsoButene", "REFPROP_NAME": "IBUTENE", "SMILES": "CC(=C)C" }, "STATES": { "critical": { "T": 418.09000000000003, "T_units": "K", "hmolar": 26722.104559210096, "hmolar_units": "J/mol", "p": 4009800.0, "p_units": "Pa", "rhomolar": 4170.0, "rhomolar_units": "mol/m^3", "smolar": 75.10430252394673, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 132.4, "T_units": "K", "hmolar": -15195.559809785855, "hmolar_units": "J/mol", "p": 0.6761899977345366, "p_units": "Pa", "rhomolar": 13666.751920875635, "rhomolar_units": "mol/m^3", "smolar": -78.57654913171493, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 132.4, "T_units": "K", "hmolar": 13286.067352403732, "hmolar_units": "J/mol", "p": 0.6761899977345366, "p_units": "Pa", "rhomolar": 0.0006142573848970569, "rhomolar_units": "mol/m^3", "smolar": 136.54144888139493, "smolar_units": "J/mol/K" } } }