{ "ANCILLARIES": { "hL": { "A": [ -59920.08975429371, -435.3004255527287, 5.686269274827653, -0.026551688405615677, 7.158706209734695e-05, -1.1450245890590754e-07, 1.0020646255928023e-10, -3.714155743547148e-14 ], "B": [ 1, -0.0017636924804910123 ], "Tmax": 561.92, "Tmin": 278.674, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 376.51938406236513, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -72325.6503937073, 2230.356360119971, -19.220224456239638, 0.08579743322690633, -0.00022509135257932873, 3.4964051978046773e-07, -2.9861697218437715e-10, 1.0849858354638855e-13 ], "B": [ 1, -0.0017620752364379978 ], "Tmax": 561.92, "Tmin": 278.674, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 846.2821513545705, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 562.02, "Tmax": 562.0199999999986, "Tmin": 278.674, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.09096496629277251, "n": [ 0.005561906558935796, -0.08662136922915314, -6.964182734154488, 1.1249288132278856, -3.961859460597414, -13.106880507410812 ], "reducing_value": 4894000.0, "t": [ 0.037, 0.505, 1.014, 1.469, 3.711, 12.647 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 562.02, "Tmax": 562.0199999999986, "Tmin": 278.674, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.3556749480683963, "n": [ 2.852587673922022, -0.5596547795188646, 14.872052666571532, -66.42959110979461, 1158.1329856052375, -3128.774352224071 ], "reducing_value": 3902.0, "t": [ 0.407, 0.565, 4.029, 5.699, 9.989, 12.299 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 562.02, "Tmax": 562.0199999999986, "Tmin": 278.674, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.31355152586733936, "n": [ 0.016427739193323233, -2.618439385733185, -2.5904375872364365, 23.553523125085235, -27.279655904334827, -452.1839777043696 ], "reducing_value": 3902.0, "t": [ 0.067, 0.387, 0.865, 2.692, 2.792, 15.611 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -367.28736141903704, 1.9742974534821924, -0.0044315658996985936, 1.3891733323299664e-06, 2.2861650201840276e-08, -6.533821280556607e-11, 7.560967575590022e-14, -3.327152569338899e-17 ], "B": [ 1, -0.0017637184112409214 ], "Tmax": 561.92, "Tmin": 278.674, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.670463230705046, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 805.7903359684354, -7.054023595110686, 0.026948845504297693, -4.872969272569453e-05, 1.4263950361676005e-08, 9.666423804354728e-11, -1.5555968001310246e-13, 7.656482336490157e-17 ], "B": [ 1, -0.0017620273519612887 ], "Tmax": 561.92, "Tmin": 278.674, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.5103729056091346, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 562.02, "a": [ 0.07298, -0.0007802, -0.0001756 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.232, 0.8635, 0.3065 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Thol-HTHP-2012", "STATES": { "hs_anchor": { "T": 618.222, "T_units": "K", "hmolar": 54228.40275249632, "hmolar_units": "J/mol", "p": 8048971.0850073155, "p_units": "Pa", "rhomolar": 3511.8, "rhomolar_units": "mol/m^3", "smolar": 108.66827371730366, "smolar_units": "J/mol/K" }, "reducing": { "T": 562.02, "T_units": "K", "hmolar": 43036.13909389726, "hmolar_units": "J/mol", "p": 4894000, "p_units": "Pa", "rhomolar": 3902, "rhomolar_units": "mol/m^3", "smolar": 91.12230224469212, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 278.674, "T_units": "K", "hmolar": -10422.52135757931, "hmolar_units": "J/mol", "p": 4783.772578698541, "p_units": "Pa", "rhomolar": 11446.46559192032, "rhomolar_units": "mol/m^3", "smolar": -33.0350385085635, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 278.674, "T_units": "K", "hmolar": 24552.953180640834, "hmolar_units": "J/mol", "p": 4783.772578698541, "p_units": "Pa", "rhomolar": 2.071643700907669, "rhomolar_units": "mol/m^3", "smolar": 92.47172102968435, "smolar_units": "J/mol/K" } }, "T_max": 725, "T_max_units": "K", "Ttriple": 278.674, "Ttriple_units": "K", "acentric": 0.2108369732700151, "acentric_units": "-", "alpha0": [ { "a1": -0.6740687105, "a2": 2.5560188958, "type": "IdealGasHelmholtzLead" }, { "a": 2.94645, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 7.36374, 18.649, 4.01834 ], "t": [ 7.32358279064802, 2.6885164229031, 1.120956549588983 ], "type": "IdealGasHelmholtzPlanckEinstein" }, { "a1": -2.8421709430404e-12, "a2": 4.99600884354027e-11, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 2, 1, 2, 1 ], "n": [ 0.03513062, 2.229707, -3.100459, -0.5763224, 0.2504179, -0.7049091, -0.1393433, 0.8319673, -0.3310741, -0.02793578 ], "t": [ 1, 0.3, 0.744, 1.174, 0.68, 2.5, 3.67, 1.26, 2.6, 0.95 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 1.867, 1.766, 1.824, 297.5 ], "d": [ 1, 1, 3, 3 ], "epsilon": [ 0.7289, 0.9074, 0.7655, 0.8711 ], "eta": [ 1.032, 1.423, 1.071, 14.35 ], "gamma": [ 1.118, 0.6392, 0.6536, 1.164 ], "n": [ 0.7087408, -0.3723906, -0.06267414, -0.86295 ], "t": [ 1, 2.47, 3.35, 0.75 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 562.02, "T_min": 562.0154317177073, "_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": [ 1.520711526285315e-09, -1.882771712992933e-05, 0.07747024998960111, 456.0485114418244 ], "cV": [ -1.4493190976253649e-09, 1.594228162718946e-05, -0.05821328986834306, 632.5418824068289 ], "rhomolar_max": 3972.502745702652, "rhomolar_min": 3831.5869548914043 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.07811180000000001, "molar_mass_units": "kg/mol", "p_max": 500000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=236", "ALIASES": [ "benzene", "BENZENE" ], "CAS": "71-43-2", "CHEMSPIDER_ID": 236, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "Benzene", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{6}H_{6}", "INCHI_KEY": "UHOVQNZJYSORNB-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", "NAME": "Benzene", "REFPROP_NAME": "BENZENE", "SMILES": "c1ccccc1" }, "STATES": { "critical": { "T": 562.02, "T_units": "K", "hmolar": 43026.04238399574, "hmolar_units": "J/mol", "p": 4894000.0, "p_units": "Pa", "rhomolar": 3902.0, "rhomolar_units": "mol/m^3", "smolar": 91.10592163092089, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 278.674, "T_units": "K", "hmolar": -10422.52135757931, "hmolar_units": "J/mol", "p": 4783.772578698541, "p_units": "Pa", "rhomolar": 11446.46559192032, "rhomolar_units": "mol/m^3", "smolar": -33.0350385085635, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 278.674, "T_units": "K", "hmolar": 24552.953180640834, "hmolar_units": "J/mol", "p": 4783.772578698541, "p_units": "Pa", "rhomolar": 2.071643700907669, "rhomolar_units": "mol/m^3", "smolar": 92.47172102968435, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Assael-JPCRD-2012-Benzene", "critical": { "GAMMA": 0.0569, "R0": 1.02, "gamma": 1.239, "qD": 1612903225, "type": "simplified_Olchowy_Sengers", "zeta0": 2.16e-10 }, "dilute": { "A": [ 0.101404, -0.52144, 0.868266 ], "B": [ 1, 9.714, 1.467 ], "T_reducing": 562.02, "T_reducing_units": "K", "m": [ 0, 1, 2 ], "n": [ 0, 1, 2 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ 0.0282489, -0.0119268, -0.0773415, 0.0833389, 0.0714001, -0.0898176, -0.0236798, 0.0363025, 0.00300875, -0.00490052 ], "T_reducing": 562.02, "T_reducing_units": "K", "d": [ 1, 1, 2, 2, 3, 3, 4, 4, 5, 5 ], "rhomass_reducing": 304.7922436, "rhomass_reducing_units": "kg/m^3", "t": [ 0, -1, 0, -1, 0, -1, 0, -1, 0, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Avgeri-JPCRD-2014-Benzene", "dilute": { "C": 2.1357e-08, "a": [ 0.234018, -0.476136, -0.015269 ], "molar_mass": 0.07811184, "molar_mass_units": "kg/mol", "t": [ 0, 1, 3 ], "type": "collision_integral" }, "epsilon_over_k": 412.0, "epsilon_over_k_units": "K", "higher_order": { "hardcoded": "Benzene" }, "initial_density": { "b": [ -19.572881, 219.73999, -1015.3226, 2471.01251, -3375.1717, 2491.6597, -787.26086, 14.085455, -0.34664158 ], "t": [ 0, -0.25, -0.5, -0.75, -1.0, -1.25, -1.5, -2.5, -5.5 ], "type": "Rainwater-Friend" }, "sigma_eta": 5.4e-10, "sigma_eta_units": "m" } } }