{ "ANCILLARIES": { "hL": { "A": [ -90130.66913527295, 407.1686952618352, -1.314013986481387, 0.005591637830643131, -1.5880702336452645e-05, 2.5176795728858165e-08, -2.1153944319560613e-11, 6.739639766434883e-15 ], "B": [ 1, -0.002144128815117629 ], "Tmax": 460.25, "Tmin": 112.65, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 425.5877797530011, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 47155.48957014673, -258.62296087421186, 0.844421424907221, -0.0015995475054099437, -1.5307399453925324e-06, 1.4210796247532407e-08, -2.698219476323736e-11, 1.8437639070453938e-14 ], "B": [ 1, -0.0021414737977205026 ], "Tmax": 460.25, "Tmin": 112.65, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 964.1487833484193, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Reeves-JCP-1964", "T_m": 113.22999999999999, "parts": [ { "T_0": 112.5, "T_max": 212.16, "T_min": 112.65, "a": 591600000.0, "c": 1.563, "p_0": 0 } ], "type": "Simon" }, "pS": { "T_r": 460.35, "Tmax": 460.3499999999989, "Tmin": 112.65000000000002, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.016885314228098913, "n": [ -8.6020554503746, 4.597427498957886, -2.60028502453596, -3.205323615957216, 0.893056340939176, -3.317655495530999 ], "reducing_value": 3378000.0, "t": [ 1.02, 1.348, 1.678, 4.158, 11.692, 14.291 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 460.35, "Tmax": 460.3499999999989, "Tmin": 112.65000000000002, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.5609059920063109, "n": [ 1.90090139367392, 0.5608577220827222, 0.291792033747788, -0.22951340206902662, 50.602054710991816, -59.20907806248923 ], "reducing_value": 3271.0, "t": [ 0.335, 0.852, 2.009, 4.806, 14.584, 15.417 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 460.35, "Tmax": 460.3499999999989, "Tmin": 112.65000000000002, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 1.1809305044249263, "n": [ -0.293842156388657, -3.3757748736495574, -2.160437982604624, -8.713491274417024, 4.916720756118398, -0.9275607204099507 ], "reducing_value": 3271.0, "t": [ 0.192, 0.477, 1.313, 5.085, 6.047, 14.238 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -500.2982514091094, 5.317345621346163, -0.03702677094202471, 0.00017942518580699236, -5.54816584404194e-07, 1.0422293523337276e-09, -1.0882935361468606e-12, 4.842018291133487e-16 ], "B": [ 1, -0.002095330499407403 ], "Tmax": 460.25, "Tmin": 112.65, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.3276319306953397, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1426.6661056776852, -24.43474588035467, 0.20869401636121118, -0.0010610877733253398, 3.3294251189559573e-06, -6.328453521633908e-09, 6.683391711832302e-12, -3.0092571072327174e-15 ], "B": [ 1, -0.0019789254211424545 ], "Tmax": 460.25, "Tmin": 112.65, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 3.736426272805695, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 460.35, "a": [ 0.051 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.209 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Lemmon-JCED-2006", "STATES": { "hs_anchor": { "T": 506.38500000000005, "T_units": "K", "hmolar": 46561.46210015001, "hmolar_units": "J/mol", "p": 5570042.134881059, "p_units": "Pa", "rhomolar": 2943.9, "rhomolar_units": "mol/m^3", "smolar": 112.26852231198176, "smolar_units": "J/mol/K" }, "reducing": { "T": 460.35, "T_units": "K", "hmolar": 36339.93041257654, "hmolar_units": "J/mol", "p": 3378000, "p_units": "Pa", "rhomolar": 3271, "rhomolar_units": "mol/m^3", "smolar": 92.56596229614416, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 112.65, "T_units": "K", "hmolar": -26071.612784685585, "hmolar_units": "J/mol", "p": 8.949025483876957e-05, "p_units": "Pa", "rhomolar": 10935.889314188298, "rhomolar_units": "mol/m^3", "smolar": -132.87088549906255, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 112.65, "T_units": "K", "hmolar": 8743.514976198454, "hmolar_units": "J/mol", "p": 8.949025483876957e-05, "p_units": "Pa", "rhomolar": 9.558513393991677e-08, "rhomolar_units": "mol/m^3", "smolar": 176.18484251588657, "smolar_units": "J/mol/K" } }, "T_max": 500, "T_max_units": "K", "Ttriple": 112.65, "Ttriple_units": "K", "acentric": 0.2274, "acentric_units": "-", "alpha0": [ { "a1": 2.5822330405, "a2": 1.1609103419, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 7.4056, 9.5772, 15.765, 12.119 ], "t": [ 0.9601390246551537, 2.409036602584989, 4.494406429890301, 9.108287172803301 ], "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": [ 1.0963, -3.0402, 1.0317, -0.1541, 0.11535, 0.00029809, 0.39571, -0.045881, -0.35804, -0.10107, -0.035484, 0.018156 ], "t": [ 0.25, 1.125, 1.5, 1.375, 0.25, 0.875, 0.625, 1.75, 3.625, 3.625, 14.5, 12 ], "type": "ResidualHelmholtzPower" } ], "critical_region_splines": { "T_max": 460.35, "T_min": 460.34697325761744, "_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": [ 8.005022701910341e-10, -8.44526357152168e-06, 0.029554133854069683, 426.02215187987395 ], "cV": [ -5.384468503556533e-10, 4.689391032778603e-06, -0.013394755215389163, 472.83487531264404 ], "rhomolar_max": 3346.612383148717, "rhomolar_min": 3197.125647678554 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.07214878, "molar_mass_units": "kg/mol", "p_max": 1000000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=6308", "ALIASES": [ "ipentane", "R601a", "ISOPENTANE", "IPENTANE" ], "CAS": "78-78-4", "CHEMSPIDER_ID": 6308, "ENVIRONMENTAL": { "ASHRAE34": "A3", "FH": 4, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 1, "Name": "Isopentane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{5}H_{12}", "INCHI_KEY": "QWTDNUCVQCZILF-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3", "NAME": "Isopentane", "REFPROP_NAME": "IPENTANE", "SMILES": "CCC(C)C" }, "STATES": { "critical": { "T": 460.35, "T_units": "K", "hmolar": 36331.14951131363, "hmolar_units": "J/mol", "p": 3378000.0, "p_units": "Pa", "rhomolar": 3271.0, "rhomolar_units": "mol/m^3", "smolar": 92.54850436995513, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 112.65, "T_units": "K", "hmolar": -26071.612784685585, "hmolar_units": "J/mol", "p": 8.949025483876957e-05, "p_units": "Pa", "rhomolar": 10935.889314188298, "rhomolar_units": "mol/m^3", "smolar": -132.87088549906255, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 112.65, "T_units": "K", "hmolar": 8743.514976198454, "hmolar_units": "J/mol", "p": 8.949025483876957e-05, "p_units": "Pa", "rhomolar": 9.558513393991677e-08, "rhomolar_units": "mol/m^3", "smolar": 176.18484251588657, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Vassiliou-JPCRD-2015-pentanes", "critical": { "GAMMA": 0.058, "R0": 1.02, "gamma": 1.239, "qD": 1506024096.3855422, "type": "simplified_Olchowy_Sengers", "zeta0": 2.27e-10 }, "dilute": { "A": [ 0.000773049, -0.0159754, 0.218987, -0.329556, 0.281075, 0.053326 ], "B": [ 5.10467, -8.12044, 8.11607, -0.294969, 1 ], "T_reducing": 460.35, "T_reducing_units": "K", "m": [ 0, 1, 2, 3, 4 ], "n": [ 0, 1, 2, 3, 4, 5 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ -0.0117507, 0.00514003, -0.0161346, 0.0558445, 0.0527254, -0.0951474, -0.027494, 0.0475268, 0.00454817, -0.00729296 ], "T_reducing": 460.35, "T_reducing_units": "K", "d": [ 1, 1, 2, 2, 3, 3, 4, 4, 5, 5 ], "rhomass_reducing": 236.0, "rhomass_reducing_units": "kg/m^3", "t": [ 0, -1, 0, -1, 0, -1, 0, -1, 0, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Chung-IECR-1988", "T_critical": 460.35, "T_critical_units": "K", "acentric": 0.2274, "acentric_units": "-", "dipole_moment_D": 0.1, "dipole_moment_D_units": "Debye", "kappa": 0.0, "kappa_units": "-", "molar_mass": 0.07214878, "molar_mass_units": "kg/mol", "rhomolar_critical": 3271.0, "rhomolar_critical_units": "mol/m^3", "type": "Chung" } } }