{ "ANCILLARIES": { "hL": { "A": [ -55422.23135447167, -659.7951146829201, 7.024182084736644, -0.030004170934026624, 7.599136453621743e-05, -1.1630677673856329e-07, 9.867453918879792e-11, -3.588542169495999e-14 ], "B": [ 1, -0.0017929671116427967 ], "Tmax": 553.5, "Tmin": 279.47, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 333.55646207522113, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -84831.90438031673, 2359.1560667669783, -19.77835429335711, 0.08699513700528441, -0.00022640152205380884, 3.505895514916325e-07, -2.997515928758312e-10, 1.0945383983410704e-13 ], "B": [ 1, -0.0017919424486920273 ], "Tmax": 553.5, "Tmin": 279.47, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 709.4840327132436, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Penoncello-IJT-1995", "T_m": 279.96, "_note": "Modified coefficients to make minimum state agree with triple point", "parts": [ { "T_0": 279.47, "T_max": 401.7, "T_min": 279.47, "a": 383400000.0, "c": 1.41, "p_0": 5240.2402380798585 } ], "type": "Simon" }, "pS": { "T_r": 553.6, "Tmax": 553.5999999999988, "Tmin": 279.47, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.023505661058897953, "n": [ -0.001507316116386758, 0.0019454414399892835, -6.247176974611268, 0.47954202162953397, -3.680367872644098, -5.145901784236558 ], "reducing_value": 4082400.0, "t": [ 0.031, 0.087, 0.976, 2.262, 3.53, 9.757 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 553.6, "Tmax": 553.5999999999988, "Tmin": 279.47, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.11107314879914565, "n": [ 0.2729676351917065, -1.106482113619369, 27.748806842659924, -34.01756141062687, 9.815362300266182, 65.7039717441813 ], "reducing_value": 3224.0, "t": [ 0.165, 0.243, 0.498, 0.564, 0.717, 12.621 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 553.6, "Tmax": 553.5999999999988, "Tmin": 279.47, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.2794645466547063, "n": [ 7.91278554789447, -14.912016731516744, 5.351652597227101, -3.875832207589477, -6.953692859831638, 3685.8600260352014 ], "reducing_value": 3224.0, "t": [ 0.395, 0.432, 0.604, 0.994, 4.823, 18.36 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -286.9212191000654, 0.23943424132188226, 0.007293317290525514, -3.953955104193266e-05, 1.0723326615756826e-07, -1.690129152155618e-10, 1.4580433911648724e-13, -5.355435787043315e-17 ], "B": [ 1, -0.0017930713305268147 ], "Tmax": 553.5, "Tmin": 279.47, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.6000495581652423, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 670.6460070763801, -5.196232640681493, 0.015621546170582668, -9.816476080452791e-06, -6.672335704406621e-08, 1.9892186359952975e-10, -2.2850251848100684e-13, 9.947282560996591e-17 ], "B": [ 1, -0.001791957816684456 ], "Tmax": 553.5, "Tmin": 279.47, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.2826382871294317, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 553.64, "a": [ 0.06485 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.263 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Zhou-JPCRD-2014", "STATES": { "hs_anchor": { "T": 608.96, "T_units": "K", "hmolar": 65182.889121126354, "hmolar_units": "J/mol", "p": 6629244.268467321, "p_units": "Pa", "rhomolar": 2901.6, "rhomolar_units": "mol/m^3", "smolar": 132.0138990348781, "smolar_units": "J/mol/K" }, "reducing": { "T": 553.6, "T_units": "K", "hmolar": 50666.58578163099, "hmolar_units": "J/mol", "p": 4082400, "p_units": "Pa", "rhomolar": 3224, "rhomolar_units": "mol/m^3", "smolar": 108.4622904833488, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 279.47, "T_units": "K", "hmolar": -12201.20774159072, "hmolar_units": "J/mol", "p": 5240.204376932312, "p_units": "Pa", "rhomolar": 9403.392135168107, "rhomolar_units": "mol/m^3", "smolar": -38.53634977009352, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 279.47, "T_units": "K", "hmolar": 21815.897566469022, "hmolar_units": "J/mol", "p": 5240.204376932312, "p_units": "Pa", "rhomolar": 2.264521624686739, "rhomolar_units": "mol/m^3", "smolar": 83.1836871742152, "smolar_units": "J/mol/K" } }, "T_max": 700, "T_max_units": "K", "Ttriple": 279.47, "Ttriple_units": "K", "acentric": 0.20926, "acentric_units": "-", "alpha0": [ { "a1": 0.9891140602, "a2": 1.6359660572, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 0.83775, 16.036, 24.636, 7.1715 ], "t": [ 1.396315028901734, 1.69978323699422, 3.946893063583815, 8.11958092485549 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 2, 1, 2, 1 ], "n": [ 0.05483581, 1.607734, -2.375928, -0.5137709, 0.1858417, -0.9007515, -0.5628776, 0.2903717, -0.3279141, -0.03177644 ], "t": [ 1, 0.37, 0.79, 1.075, 0.37, 2.4, 2.5, 0.5, 3, 1.06 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.38, 4.2, 1.2, 0.9, 1.2, 2.6, 5.3, 4.4, 4.2, 25 ], "d": [ 1, 1, 3, 3, 2, 2, 3, 2, 3, 2 ], "epsilon": [ 0.73, 0.75, 0.48, 2.32, 0.2, 1.33, 0.68, 1.11, 1.47, 0.99 ], "eta": [ 0.99, 1.43, 0.97, 1.93, 0.92, 1.27, 0.87, 0.82, 1.4, 3 ], "gamma": [ 0.65, 0.63, 1.14, 0.09, 0.56, 0.4, 1.01, 0.45, 0.85, 0.86 ], "n": [ 0.8668676, -0.1962725, -0.1425992, 0.004197016, 0.1776584, -0.04433903, -0.03861246, 0.07399692, 0.02036006, 0.00272825 ], "t": [ 1.6, 0.37, 1.33, 2.5, 0.9, 0.5, 0.73, 0.2, 1.5, 1.5 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 553.6, "T_min": 553.5979946139788, "_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": [ 1.56104739484658e-08, -0.00015385588557227471, 0.5052887091787223, 0.6345188298942561 ], "cV": [ -1.5338245208003638e-08, 0.0001454870563719106, -0.45981527881664047, 1037.8236160527126 ], "rhomolar_max": 3252.773506033089, "rhomolar_min": 3195.2323910542696 }, "gas_constant": 8.3144621, "gas_constant_units": "J/mol/K", "molar_mass": 0.08415948000000001, "molar_mass_units": "kg/mol", "p_max": 250000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7787", "ALIASES": [ "Cyclohexane", "CYCLOHEXANE", "CYCLOHEX" ], "CAS": "110-82-7", "CHEMSPIDER_ID": 7787, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "CycloHexane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{6}H_{12}", "INCHI_KEY": "XDTMQSROBMDMFD-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2", "NAME": "CycloHexane", "REFPROP_NAME": "CYCLOHEX", "SMILES": "C1CCCCC1" }, "STATES": { "critical": { "T": 553.6, "T_units": "K", "hmolar": 50654.05770528335, "hmolar_units": "J/mol", "p": 4082400.0, "p_units": "Pa", "rhomolar": 3224.0, "rhomolar_units": "mol/m^3", "smolar": 108.4413105254045, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 279.47, "T_units": "K", "hmolar": -12201.20774159072, "hmolar_units": "J/mol", "p": 5240.204376932312, "p_units": "Pa", "rhomolar": 9403.392135168107, "rhomolar_units": "mol/m^3", "smolar": -38.53634977009352, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 279.47, "T_units": "K", "hmolar": 21815.897566469022, "hmolar_units": "J/mol", "p": 5240.204376932312, "p_units": "Pa", "rhomolar": 2.264521624686739, "rhomolar_units": "mol/m^3", "smolar": 83.1836871742152, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "viscosity": { "BibTeX": "Tariq-JPCRD-2014-Cyclohexane", "dilute": { "hardcoded": "Cyclohexane" }, "higher_order": { "T_reduce": 553.6, "T_reduce_units": "K", "a": [ 0.0, 0.000335234, 7.8494803e-06, -0.0006873976, 0.0, 0.0003620868, -1.04793856e-05, 2.5521774e-06, 1.72734993e-05, -5.9372242e-06, -1.06186149e-05, 4.3982781e-06, 2.8894928e-06, -1.3468174e-06, -2.938491e-07, 1.487134e-07 ], "d1": [ 2.2, 2.2, 2.5, 2.5, 2.8, 2.8, 10, 10, 11, 11, 12, 12, 13, 13, 14, 14 ], "d2": [ 0 ], "f": [ 0 ], "g": [ 1 ], "gamma": [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ], "h": [ 0 ], "l": [ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 3224.0, "rhomolar_reduce_units": "mol/m^3", "t1": [ 0, 1, 0, 1, 0, 1, 0, 1, 0, 1, 0, 1, 0, 1, 0, 1 ], "t2": [ 0 ], "type": "modified_Batschinski_Hildebrand" }, "initial_density": { "T_reducing": 1, "d": [ 1, 1, 1 ], "n": [ 5.09643e-09, -3.38721e-06, 0.000337477 ], "rhomolar_reducing": 1, "t": [ 0, 1, 2 ], "type": "empirical" } } } }