{ "ANCILLARIES": { "hL": { "A": [ -242558.1890011446, 574.8723973542507, 0.23709167470817355, -0.0033902145538814905, 1.1770947178840935e-05, -2.277412469818117e-08, 2.2076267920987602e-11, -8.632629115479056e-15 ], "B": [ 1, -0.0016039011308244047 ], "Tmax": 617.6, "Tmin": 243.5, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 499.28991114524615, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 32596.536169515177, 668.049425072042, -7.065313385902484, 0.03174377457866131, -8.132716536987268e-05, 1.220710976565656e-07, -1.0027472764224916e-10, 3.501600089529299e-14 ], "B": [ 1, -0.0015986397037307796 ], "Tmax": 617.6, "Tmin": 243.5, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1173.554745440239, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 617.7, "Tmax": 617.6999999999986, "Tmin": 243.5, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.07748402944278698, "n": [ -0.018658701477170855, 0.11385848199518148, -8.950810509531753, 1.828978043951727, -3.8508051312012306, -3.0325059558496923 ], "reducing_value": 2103000.0, "t": [ 0.297, 0.55, 0.987, 1.227, 2.854, 4.712 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 617.7, "Tmax": 617.6999999999986, "Tmin": 243.5, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.22413706273485268, "n": [ 4.827666872341155, -3.7319669690993447, 1.9076750287466657, 0.16459343086669795, 1666.7748855066088, -2460.441820959505 ], "reducing_value": 1640.0000000000002, "t": [ 0.49, 0.778, 1.234, 5.192, 18.677, 19.549 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 617.7, "Tmax": 617.6999999999986, "Tmin": 243.5, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.1767241319367674, "n": [ 0.14176862633564324, -4.281435009034745, -7.136194974307151, 6.849154519985906, -3.913871220272946, -5.556483531473428 ], "reducing_value": 1640.0000000000002, "t": [ 0.219, 0.452, 1.016, 1.126, 2.035, 4.148 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -931.9039976136951, 5.689300170226122, -0.021304474843167935, 5.968481312988072e-05, -1.1040215838842473e-07, 1.2320068549428294e-10, -7.537774857066367e-14, 1.9229870777815884e-17 ], "B": [ 1, -0.0016024355497139026 ], "Tmax": 617.6, "Tmin": 243.5, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.85754483471095, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1363.304652680616, -13.453279848506268, 0.06478822237023046, -0.0001865858976500948, 3.3353414452636003e-07, -3.6201776373405997e-10, 2.1759384279507505e-13, -5.497870131876565e-17 ], "B": [ 1, -0.0015963763093911239 ], "Tmax": 617.6, "Tmin": 243.5, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.0190919416423405, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 617.7, "a": [ 0.05473 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.29 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Lemmon-JCED-2006", "STATES": { "hs_anchor": { "T": 679.4700000000001, "T_units": "K", "hmolar": 113563.69179091476, "hmolar_units": "J/mol", "p": 3729567.4193493393, "p_units": "Pa", "rhomolar": 1476.0, "rhomolar_units": "mol/m^3", "smolar": 199.42067478615894, "smolar_units": "J/mol/K" }, "reducing": { "T": 617.7, "T_units": "K", "hmolar": 83694.96794458861, "hmolar_units": "J/mol", "p": 2103000, "p_units": "Pa", "rhomolar": 1640, "rhomolar_units": "mol/m^3", "smolar": 154.95702637974108, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 243.5, "T_units": "K", "hmolar": -69252.45160193165, "hmolar_units": "J/mol", "p": 1.4041839024219944, "p_units": "Pa", "rhomolar": 5406.416906179154, "rhomolar_units": "mol/m^3", "smolar": -203.07127448961504, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 243.5, "T_units": "K", "hmolar": -13385.867143795434, "hmolar_units": "J/mol", "p": 1.4041839024219944, "p_units": "Pa", "rhomolar": 0.0006935786531462122, "rhomolar_units": "mol/m^3", "smolar": 26.36026472871258, "smolar_units": "J/mol/K" } }, "T_max": 675, "T_max_units": "K", "Ttriple": 243.5, "Ttriple_units": "K", "acentric": 0.4884, "acentric_units": "-", "alpha0": [ { "a1": 13.9361966549, "a2": -10.5265128286, "type": "IdealGasHelmholtzLead" }, { "a": 18.109, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 25.685, 28.233, 12.417, 10.035 ], "t": [ 1.931358264529707, 3.46446495062328, 7.710862878419944, 17.58458798769629 ], "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": [ 1.0461, -2.4807, 0.74372, -0.52579, 0.15315, 0.00032865, 0.84178, 0.055424, -0.73555, -0.18507, -0.020775, 0.012335 ], "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": 617.7, "T_min": 617.6916108089977, "_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": [ 1.0320134681362064e-07, -0.0005217594566020225, 0.8786599904848911, 124.80648856211926 ], "cV": [ -1.1142857846667393e-07, 0.0005339799193483449, -0.8523592215306723, 1070.881951847099 ], "rhomolar_max": 1667.390392847361, "rhomolar_min": 1612.6301589021477 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.14228168, "molar_mass_units": "kg/mol", "p_max": 800000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=14840", "ALIASES": [ "Decane", "decane", "DECANE", "N-DECANE", "NC10H22", "n-C10H22" ], "CAS": "124-18-5", "CHEMSPIDER_ID": 14840, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 2, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "n-Decane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{10}H_{22}", "INCHI_KEY": "DIOQZVSQGTUSAI-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3", "NAME": "n-Decane", "REFPROP_NAME": "DECANE", "SMILES": "CCCCCCCCCC" }, "STATES": { "critical": { "T": 617.7, "T_units": "K", "hmolar": 83667.6516858292, "hmolar_units": "J/mol", "p": 2103000.0, "p_units": "Pa", "rhomolar": 1640.0000000000002, "rhomolar_units": "mol/m^3", "smolar": 154.91456392600804, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 243.5, "T_units": "K", "hmolar": -69252.45160193165, "hmolar_units": "J/mol", "p": 1.4041839024219944, "p_units": "Pa", "rhomolar": 5406.416906179154, "rhomolar_units": "mol/m^3", "smolar": -203.07127448961504, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 243.5, "T_units": "K", "hmolar": -13385.867143795434, "hmolar_units": "J/mol", "p": 1.4041839024219944, "p_units": "Pa", "rhomolar": 0.0006935786531462122, "rhomolar_units": "mol/m^3", "smolar": 26.36026472871258, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Huber-FPE-2005", "critical": { "GAMMA": 0.0496, "R0": 1.03, "gamma": 1.239, "qD": 1411155860.0, "type": "simplified_Olchowy_Sengers", "zeta0": 1.94e-10 }, "dilute": { "A": [ 0.010554268, -0.051453009, 0.118978971, -0.0372442104 ], "B": [ 1.0 ], "T_reducing": 617.7, "T_reducing_units": "K", "m": [ 0 ], "n": [ 0, 1, 2, 3 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ -0.0294394112, 0.0499245356, -0.0142700394, 0.00150827597, 0.0150509474, 0, -0.0138857133, 0.00433326339 ], "T_reducing": 617.7, "T_reducing_units": "K", "d": [ 1, 2, 3, 4, 1, 2, 3, 4 ], "rhomass_reducing": 233.34, "rhomass_reducing_units": "kg/m^3", "t": [ 0, 0, 0, 0, -1, -1, -1, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Huber-FPE-2004", "dilute": { "C": 2.1357e-08, "a": [ 0.343267, -0.460514 ], "molar_mass": 0.14228168, "molar_mass_units": "kg/mol", "t": [ 0, 1 ], "type": "collision_integral" }, "epsilon_over_k": 490.51, "epsilon_over_k_units": "K", "higher_order": { "T_reduce": 617.7, "T_reduce_units": "K", "a": [ -4.02094e-05, 4.04435e-05, 0, -1.42063e-05 ], "d1": [ 2, 2, 3, 3 ], "d2": [ 1 ], "f": [ 0.000453387 ], "g": [ 2.55105, 1.71465, 0 ], "gamma": [ 0, 0, 0, 0 ], "h": [ 0, -0.5, -1 ], "l": [ 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 1640.0, "rhomolar_reduce_units": "mol/m^3", "t1": [ 1, 2, 1, 2 ], "t2": [ 0 ], "type": "modified_Batschinski_Hildebrand" }, "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": 6.86e-10, "sigma_eta_units": "m" } } }