{ "ANCILLARIES": { "hL": { "A": [ -218354.76545668818, 662.5370924746883, -0.7691999094223858, 0.0004601777572183805, 3.160365020598769e-06, -1.1544314411150863e-08, 1.4338416755256341e-11, -6.518531253673948e-15 ], "B": [ 1, -0.0016671153911018493 ], "Tmax": 594.45, "Tmin": 219.70000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 531.8203178343683, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 49960.50136964533, 279.42315523873674, -4.302446820015608, 0.02152877310477222, -5.964115345959446e-05, 9.57936409307345e-08, -8.378283241193092e-11, 3.109635223793629e-14 ], "B": [ 1, -0.001661634454752821 ], "Tmax": 594.45, "Tmin": 219.70000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1182.9564774806581, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 594.55, "Tmax": 594.5499999999988, "Tmin": 219.7, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.0429551855531618, "n": [ 0.17512979712645566, -13.890353079088916, 7.363037542847803, -3.8800351715589256, 1.688059255455581, -4.696846069919248 ], "reducing_value": 2281000.0, "t": [ 0.695, 1.023, 1.153, 2.471, 3.113, 4.262 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 594.55, "Tmax": 594.5499999999988, "Tmin": 219.7, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.138204992711366, "n": [ -23.198712622058476, 402.39535606636224, -525.0132880466338, 158.57173971120517, -19.07334776671177, 9.495727034290677 ], "reducing_value": 1810.0, "t": [ 0.587, 0.686, 0.729, 0.846, 1.5, 1.824 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 594.55, "Tmax": 594.5499999999988, "Tmin": 219.7, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.15234619512934922, "n": [ -5.1536130968369545, 2.1332285795020645, -3.593065172775762, -5.8548285122141905, -4.752281189935403, 67.88348941881152 ], "reducing_value": 1810.0, "t": [ 0.501, 1.115, 1.413, 3.576, 9.883, 18.14 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -890.420068499058, 6.221525250995958, -0.027035467162270458, 8.470238552705223e-05, -1.725389295151227e-07, 2.1347528422569578e-10, -1.4672164626582598e-13, 4.2910978166607963e-17 ], "B": [ 1, -0.001664395926609137 ], "Tmax": 594.45, "Tmin": 219.70000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.9999379234770416, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 1405.7389414876482, -15.222888618638514, 0.08105509780377762, -0.0002591702825546766, 5.170721755311739e-07, -6.311670672639086e-10, 4.314918042723113e-13, -1.2631216832548168e-16 ], "B": [ 1, -0.001657177140333162 ], "Tmax": 594.45, "Tmin": 219.70000000000002, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 2.2294893751282014, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 594.55, "a": [ 0.05388 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.262 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Lemmon-JCED-2006", "STATES": { "hs_anchor": { "T": 654.005, "T_units": "K", "hmolar": 100494.99108243728, "hmolar_units": "J/mol", "p": 3972067.642196921, "p_units": "Pa", "rhomolar": 1629.0, "rhomolar_units": "mol/m^3", "smolar": 184.14082486513365, "smolar_units": "J/mol/K" }, "reducing": { "T": 594.55, "T_units": "K", "hmolar": 75102.59636354209, "hmolar_units": "J/mol", "p": 2281000, "p_units": "Pa", "rhomolar": 1810, "rhomolar_units": "mol/m^3", "smolar": 145.02113486663293, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 219.7, "T_units": "K", "hmolar": -60674.91756417493, "hmolar_units": "J/mol", "p": 0.44448534766650133, "p_units": "Pa", "rhomolar": 6051.9562481855255, "rhomolar_units": "mol/m^3", "smolar": -191.7417298173398, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 219.7, "T_units": "K", "hmolar": -8054.152044856276, "hmolar_units": "J/mol", "p": 0.44448534766650133, "p_units": "Pa", "rhomolar": 0.00024332980180299797, "rhomolar_units": "mol/m^3", "smolar": 47.77015593962645, "smolar_units": "J/mol/K" } }, "T_max": 600, "T_max_units": "K", "Ttriple": 219.7, "Ttriple_units": "K", "acentric": 0.4433, "acentric_units": "-", "alpha0": [ { "a1": 10.7927224829, "a2": -8.2418318753, "type": "IdealGasHelmholtzLead" }, { "a": 16.349, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 24.926, 24.842, 11.188, 17.483 ], "t": [ 2.053654024051804, 3.774283071230343, 8.423177192834919, 19.71911529728366 ], "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": [ 1.1151, -2.702, 0.83416, -0.38828, 0.1376, 0.00028185, 0.62037, 0.015847, -0.61726, -0.15043, -0.012982, 0.0044325 ], "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": 594.5500000000001, "T_min": 594.5305381064545, "_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": [ 3.439621959142905e-08, -0.00019618497909856946, 0.3721332593263793, 359.74973708777674 ], "cV": [ -3.3806685877357655e-08, 0.00017381238995556715, -0.2969386008307187, 763.0469880912561 ], "rhomolar_max": 1860.332444076972, "rhomolar_min": 1760.985320673019 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.1282551, "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=7849", "ALIASES": [ "nonane", "Nonane", "NONANE", "N-NONANE", "NC9H20", "n-C9H20" ], "CAS": "111-84-2", "CHEMSPIDER_ID": 7849, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "n-Nonane", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{9}H_{20}", "INCHI_KEY": "BKIMMITUMNQMOS-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3", "NAME": "n-Nonane", "REFPROP_NAME": "NONANE", "SMILES": "CCCCCCCCC" }, "STATES": { "critical": { "T": 594.5500000000001, "T_units": "K", "hmolar": 75079.64968847665, "hmolar_units": "J/mol", "p": 2281000.0, "p_units": "Pa", "rhomolar": 1810.0, "rhomolar_units": "mol/m^3", "smolar": 144.98429006254074, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 219.7, "T_units": "K", "hmolar": -60674.91756417493, "hmolar_units": "J/mol", "p": 0.44448534766650133, "p_units": "Pa", "rhomolar": 6051.9562481855255, "rhomolar_units": "mol/m^3", "smolar": -191.7417298173398, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 219.7, "T_units": "K", "hmolar": -8054.152044856276, "hmolar_units": "J/mol", "p": 0.44448534766650133, "p_units": "Pa", "rhomolar": 0.00024332980180299797, "rhomolar_units": "mol/m^3", "smolar": 47.77015593962645, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Huber-FPE-2005", "critical": { "GAMMA": 0.0496, "R0": 1.03, "gamma": 1.239, "qD": 958722814.0, "type": "simplified_Olchowy_Sengers", "zeta0": 1.94e-10 }, "dilute": { "A": [ 0.0087877, -0.041351, 0.10479, -0.032003 ], "B": [ 1.0 ], "T_reducing": 594.55, "T_reducing_units": "K", "m": [ 0 ], "n": [ 0, 1, 2, 3 ], "type": "ratio_of_polynomials" }, "residual": { "B": [ 0.00490087596, -0.00807305471, 0.00557430614, 0.0099648628 ], "T_reducing": 594.55, "T_reducing_units": "K", "d": [ 1, 2, 3, 1 ], "rhomass_reducing": 232.14, "rhomass_reducing_units": "kg/m^3", "t": [ 0, 0, 0, -1 ], "type": "polynomial" } }, "viscosity": { "BibTeX": "Huber-FPE-2004", "dilute": { "C": 2.1357e-08, "a": [ 0.340344, -0.466455 ], "molar_mass": 0.1282551, "molar_mass_units": "kg/mol", "t": [ 0, 1 ], "type": "collision_integral" }, "epsilon_over_k": 472.127, "epsilon_over_k_units": "K", "higher_order": { "T_reduce": 594.55, "T_reduce_units": "K", "a": [ -3.14367e-05, 3.26258e-05, 6.39384e-06, -1.08922e-05 ], "d1": [ 2, 2, 3, 3 ], "d2": [ 1 ], "f": [ 0.000192935 ], "g": [ 2.66987, 1.32137, 0 ], "gamma": [ 0, 0, 0, 0 ], "h": [ 0, -0.5, -1 ], "l": [ 1, 1, 1, 1 ], "p": [ 1 ], "q": [ 0 ], "rhomolar_reduce": 1810.0, "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": 6.6383e-10, "sigma_eta_units": "m" } } }