{ "ANCILLARIES": { "hL": { "A": [ -91756.76234006461, 280.58777538383487, 0.49685910535106487, -0.005748108050935333, 2.330377041868759e-05, -5.232598817569962e-08, 6.142566392916227e-11, -3.0080059554031395e-14 ], "B": [ 1, -0.0021084032742589094 ], "Tmax": 469.6, "Tmin": 143.47, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 412.74441656838644, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 42880.50966779205, -89.8594742876895, -1.0875408200167276, 0.009903938566591382, -4.129942050678408e-05, 9.454236859411337e-08, -1.1494304982937444e-10, 5.86920443533605e-14 ], "B": [ 1, -0.002104268667562365 ], "Tmax": 469.6, "Tmin": 143.47, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 967.4624259796101, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "Reeves-JCP-1964", "T_m": 143.26, "_note": "Modified coefficients to make minimum state agree with triple point", "parts": [ { "T_0": 143.47, "T_max": 156.2, "T_min": 143.47, "a": 660000000.0, "c": 1.649, "p_0": 0.07632208287718079 } ], "type": "Simon" }, "pS": { "T_r": 469.7, "Tmax": 469.7, "Tmin": 143.47, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.029330284037554222, "n": [ -7.3342, 2.043, -2.196, -6.3246, 5.429, -2.821 ], "reducing_value": 3367500.0, "t": [ 1.0, 1.5, 2.26, 5.5, 7.1, 11.0 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 469.7, "Tmax": 469.7, "Tmin": 143.47, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 3.114298806470317, "n": [ 3.5771, -4.653, 8.517, -7.831, 3.3029, 0.5782 ], "reducing_value": 3210, "t": [ 0.43, 0.83, 1.25, 1.72, 2.24, 17.5 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 469.7, "Tmax": 469.7, "Tmin": 143.47, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 3.2828728664463958, "n": [ -3.5333, -8.4246, -25.474, -57.24, -34.6, -111.9 ], "reducing_value": 3210, "t": [ 0.428, 1.484, 3.87, 7.86, 15.98, 17.33 ], "type": "rhoV", "using_tau_r": false }, "sL": { "A": [ -504.6730674318999, 4.585323478859553, -0.02479934082458695, 9.377365981972263e-05, -2.3110401991935404e-07, 3.49937287143199e-10, -2.9714690679827825e-13, 1.0780113096970239e-16 ], "B": [ 1, -0.002103387703665542 ], "Tmax": 469.6, "Tmin": 143.47, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.9830629680041199, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1247.4338143422697, -18.877257550344826, 0.14210131651643207, -0.0006414980040085949, 1.8005883712780147e-06, -3.0825849805126652e-09, 2.9499509145058343e-12, -1.2092852449965521e-15 ], "B": [ 1, -0.002077110705576737 ], "Tmax": 469.6, "Tmin": 143.47, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.826225210152348, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 469.7, "a": [ 0.08015, 0.004384, -0.03437 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.408, 1.031, 1.818 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Thol-FPE-2019-alkanes-pentane", "STATES": { "hs_anchor": { "T": 516.6700000000002, "T_units": "K", "hmolar": 47801.87074422382, "hmolar_units": "J/mol", "p": 5566066.591457179, "p_units": "Pa", "rhomolar": 2894.019829579932, "rhomolar_units": "mol/m^3", "smolar": 184.10773472372998, "smolar_units": "J/mol/K" }, "reducing": { "T": 469.7, "T_units": "K", "hmolar": 37288.22067588652, "hmolar_units": "J/mol", "p": 3367518.990389116, "p_units": "Pa", "rhomolar": 3210, "rhomolar_units": "mol/m^3", "smolar": 164.23731626855928, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 143.47, "T_units": "K", "hmolar": -25261.03093527625, "hmolar_units": "J/mol", "p": 0.07802807327356376, "p_units": "Pa", "rhomolar": 10584.356627782587, "rhomolar_units": "mol/m^3", "smolar": -43.698038848504, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 143.47, "T_units": "K", "hmolar": 9190.106333658878, "hmolar_units": "J/mol", "p": 0.07802807327356376, "p_units": "Pa", "rhomolar": 6.541166380079081e-05, "rhomolar_units": "mol/m^3", "smolar": 196.42977371813126, "smolar_units": "J/mol/K" } }, "T_max": 650, "T_max_units": "K", "Ttriple": 143.47, "Ttriple_units": "K", "acentric": 0.2510319126804281, "acentric_units": "-", "alpha0": [ { "a1": 8.509252832282648, "a2": 0.06430584062033375, "type": "IdealGasHelmholtzLead" }, { "a": 3, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 6.618, 15.97, 15.29 ], "t": [ 0.3278688524590164, 2.8188205237385566, 5.607834788162657 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 3, 2, 1, 2, 1 ], "n": [ 0.042952795, 2.4923999, -2.603872, -0.83829913, 0.19223378, -3.0778196, -0.000324816, -1.6781976, 0.6416425, -1.7300934, -0.017585046 ], "t": [ 1.0, 0.367, 0.704, 1.04, 0.494, 1.34, 0.688, 1.688, 0.88, 1.357, 1.021 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.583, 31.6, 0.52, 0.654, 0.75 ], "d": [ 1, 1, 3, 2, 2 ], "epsilon": [ 0.927, 0.968, 0.735, 1.196, 0.617 ], "eta": [ 1.01, 4.77, 1.13, 1.08, 1.12 ], "gamma": [ 1.06, 1.37, 1.09, 1.19, 0.83 ], "n": [ 4.5708883, -0.0758188, -0.62122633, -0.42413043, -2.0418443 ], "t": [ 0.979, 2.966, 1.35, 0.664, 0.937 ], "type": "ResidualHelmholtzGaussian" } ], "gas_constant": 8.3144598, "gas_constant_units": "J/mol/K", "molar_mass": 0.07214878, "molar_mass_units": "kg/mol", "p_max": 780000000.0, "p_max_units": "Pa", "pseudo_pure": false }, { "BibTeX_CP0": "Jaeschke-IJT-1995", "BibTeX_EOS": "Span-IJT-2003B", "STATES": { "hs_anchor": { "T": 516.6700000000001, "T_units": "K", "hmolar": 48110.14828842092, "hmolar_units": "J/mol", "p": 5578204.572176031, "p_units": "Pa", "rhomolar": 2894.0198295799323, "rhomolar_units": "mol/m^3", "smolar": 113.50504419519663, "smolar_units": "J/mol/K" }, "reducing": { "T": 469.7, "T_units": "K", "hmolar": 37561.10567308114, "hmolar_units": "J/mol", "p": 3370000, "p_units": "Pa", "rhomolar": 3215.577588422147, "rhomolar_units": "mol/m^3", "smolar": 93.56559800555729, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 143.47, "T_units": "K", "hmolar": -25091.537148819258, "hmolar_units": "J/mol", "p": 0.07632218449133073, "p_units": "Pa", "rhomolar": 10566.403034046356, "rhomolar_units": "mol/m^3", "smolar": -114.87359084322038, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 143.47, "T_units": "K", "hmolar": 9535.953964461274, "hmolar_units": "J/mol", "p": 0.07632218449133073, "p_units": "Pa", "rhomolar": 6.398134604459582e-05, "rhomolar_units": "mol/m^3", "smolar": 126.48342412292618, "smolar_units": "J/mol/K" } }, "T_max": 600, "T_max_units": "K", "Ttriple": 143.47, "Ttriple_units": "K", "acentric": 0.251, "acentric_units": "-", "alpha0": [ { "a1": -1.548185641277708, "a2": 0, "type": "IdealGasHelmholtzLead" }, { "a": -1, "type": "IdealGasHelmholtzLogTau" }, { "T0": 298, "Tc": 469.7, "c": [ 4, 8.95043, 178.67, 21.836, 840.538 ], "type": "IdealGasHelmholtzCP0AlyLee" }, { "T0": 298, "Tc": 469.7, "c": [ 0, 33.4032, 1774.25, 0, 0 ], "type": "IdealGasHelmholtzCP0AlyLee" }, { "a1": 4.12081292405308, "a2": 3.14199957169349, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "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": [ 1.0968643, -2.9988888, 0.99516887, -0.16170709, 0.1133446, 0.00026760595, 0.40979882, -0.040876423, -0.38169482, -0.10931957, -0.032073223, 0.016877016 ], "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": 469.70000000000005, "T_min": 469.36685791273345, "_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": [ -1.1076982598336214e-09, 1.0116271697455407e-05, -0.03069871503131287, 500.6421885129799 ], "cV": [ 4.3055773822385574e-10, -5.541145426556296e-06, 0.022280143554586573, 441.03601546584997 ], "rhomolar_max": 3750.9260751689894, "rhomolar_min": 2757.127555479338 }, "gas_constant": 8.31451, "gas_constant_units": "J/mol/K", "molar_mass": 0.07214878, "molar_mass_units": "kg/mol", "p_max": 69000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7712", "ALIASES": [ "nPentane", "Pentane", "PENTANE", "N-PENTANE", "R601", "NC5H12", "n-C5H12" ], "CAS": "109-66-0", "CHEMSPIDER_ID": 7712, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 4, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "n-Pentane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{5}H_{12}", "INCHI_KEY": "OFBQJSOFQDEBGM-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", "NAME": "n-Pentane", "REFPROP_NAME": "PENTANE", "SMILES": "CCCCC" }, "STATES": { "critical": { "T": 469.70000000000005, "T_units": "K", "hmolar": 37274.85222078972, "hmolar_units": "J/mol", "p": 3367518.9947363394, "p_units": "Pa", "rhomolar": 3215.5775884221466, "rhomolar_units": "mol/m^3", "smolar": 164.208854577162, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 143.47, "T_units": "K", "hmolar": -25261.03093527625, "hmolar_units": "J/mol", "p": 0.07802807327356376, "p_units": "Pa", "rhomolar": 10584.356627782587, "rhomolar_units": "mol/m^3", "smolar": -43.698038848504, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 143.47, "T_units": "K", "hmolar": 9190.106333658878, "hmolar_units": "J/mol", "p": 0.07802807327356376, "p_units": "Pa", "rhomolar": 6.541166380079081e-05, "rhomolar_units": "mol/m^3", "smolar": 196.42977371813126, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Vassiliou-JPCRD-2015-pentanes", "critical": { "GAMMA": 0.058, "R0": 1.02, "gamma": 1.239, "qD": 1497005988.0239522, "type": "simplified_Olchowy_Sengers", "zeta0": 2.27e-10 }, "dilute": { "A": [ -0.00396685, 0.0353805, 0.00511554, -0.108585, 0.179573, 0.0392128 ], "B": [ 2.71636, -5.76265, 6.77885, -0.59135, 1 ], "T_reducing": 469.7, "T_reducing_units": "K", "m": [ 0, 1, 2, 3, 4 ], "n": [ 0, 1, 2, 3, 4, 5 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ 0.000776054, 0.00797696, 0.117655, -0.0785888, -0.133101, 0.0916089, 0.0534026, -0.0370431, -0.0068793, 0.0050962 ], "T_reducing": 469.7, "T_reducing_units": "K", "d": [ 1, 1, 2, 2, 3, 3, 4, 4, 5, 5 ], "rhomass_reducing": 232.0, "rhomass_reducing_units": "kg/m^3", "t": [ 0, -1, 0, -1, 0, -1, 0, -1, 0, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "QuinonesCisneros-JPCB-2006", "dilute": { "T_reducing": 469.7, "a": [ 1.76805e-05, -5.56942e-05, 4.87177e-05, 0.0 ], "t": [ 0, 0.25, 0.5, 0.75 ], "type": "powers_of_Tr" }, "epsilon_over_k": 341.1, "epsilon_over_k_units": "K", "higher_order": { "Aa": [ 1.08193e-08, -4.71699e-08, 0 ], "Aaa": [ -2.10025e-13, -1.56583e-12, 0.0 ], "Adrdr": [ 1.98521e-11, 2.05972e-12, 0.0 ], "Ai": [ -5.08307e-08, -1.07e-08, 0.0 ], "Aii": [ -1.18487e-10, 1.69571e-10, 0.0 ], "Ar": [ 1.21502e-07, -9.84766e-08, 0.0 ], "Na": 1, "Naa": 3, "Nii": 3, "Nr": 1, "Nrr": 3, "T_reduce": 469.7, "_note": "Typo in paper for Aa[1], taking the value from REFPROP 9.1 fluid file. Also, sign of Ai[0] seems backwards, using value from REFPROP 9.1", "c1": 1, "c2": 1, "type": "friction_theory" }, "sigma_eta": 5.784e-10, "sigma_eta_units": "m" } } }