{ "ANCILLARIES": { "hL": { "A": [ -20058.57077306509, -1463.7694287336863, 14.443125655878985, -0.0652070869038673, 0.00017130618299328616, -2.6647719269258747e-07, 2.2730552969767074e-10, -8.221355859556307e-14 ], "B": [ 1, -0.0017769967110900066 ], "Tmax": 556.9, "Tmin": 277.06, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 396.59367251411277, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -152028.16554503381, 3768.195730642862, -31.289680583533382, 0.13760464265382194, -0.00035733838119167313, 5.505728059893722e-07, -4.669356061373898e-10, 1.6849410722959596e-13 ], "B": [ 1, -0.001776226574836131 ], "Tmax": 556.9, "Tmin": 277.06, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 905.0304683725603, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 557.0, "Tmax": 556.9999999999989, "Tmin": 277.06, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.005628626505338463, "n": [ -2.597007649585314, -15.509376515573363, 12.767875905311987, -1.7459847599351825, -1.196780284722721, -3.425253357555481 ], "reducing_value": 4908800.0, "t": [ 0.945, 1.114, 1.224, 2.157, 2.469, 4.522 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 557.0, "Tmax": 556.9999999999989, "Tmin": 277.06, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.27167700173059695, "n": [ 0.8639422657944309, -1.688248771620619, 3.3308155638028083, 152.44139464976624, -173.70557844277656, 36624.29817631924 ], "reducing_value": 4000.0, "t": [ 0.221, 0.307, 0.394, 5.545, 5.765, 19.705 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 557.0, "Tmax": 556.9999999999989, "Tmin": 277.06, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.9630964865271263, "n": [ -1.8639798693880143, -12.434353793968175, 9.656910477455611, -8.552325635675663, 11.090574157797857, -495.7580019137995 ], "reducing_value": 4000.0, "t": [ 0.318, 0.882, 0.995, 3.273, 5.755, 13.354 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -370.4749101214313, 0.8449002109136885, 0.008529759636726081, -6.32907610480062e-05, 2.0119722043113662e-07, -3.484881925601019e-10, 3.189158170688548e-13, -1.2117699240801806e-16 ], "B": [ 1, -0.0017776332661290294 ], "Tmax": 556.9, "Tmin": 277.06, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.6993166424708726, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 711.1427069614687, -4.616040273396764, 0.005689129454589612, 4.716074007312316e-05, -2.3704718092326844e-07, 4.842682176748516e-10, -4.830731540692222e-13, 1.9385932853823274e-16 ], "B": [ 1, -0.0017765371490054483 ], "Tmax": 556.9, "Tmin": 277.06, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.6122574161938514, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2014", "Tc": 557.0, "a": [ 0.0825 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.39 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Zhou-JPCRD-2011", "STATES": { "hs_anchor": { "T": 612.7, "T_units": "K", "hmolar": 58044.67342145644, "hmolar_units": "J/mol", "p": 8483749.081005773, "p_units": "Pa", "rhomolar": 3600.0, "rhomolar_units": "mol/m^3", "smolar": 115.98431089353643, "smolar_units": "J/mol/K" }, "reducing": { "T": 557, "T_units": "K", "hmolar": 46203.946110283716, "hmolar_units": "J/mol", "p": 4908800, "p_units": "Pa", "rhomolar": 4000, "rhomolar_units": "mol/m^3", "smolar": 97.31751168709812, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 277.06, "T_units": "K", "hmolar": -14541.45895851501, "hmolar_units": "J/mol", "p": 2226.523727216828, "p_units": "Pa", "rhomolar": 12111.201661172101, "rhomolar_units": "mol/m^3", "smolar": -45.58846898543079, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 277.06, "T_units": "K", "hmolar": 24492.69848570479, "hmolar_units": "J/mol", "p": 2226.523728030413, "p_units": "Pa", "rhomolar": 0.9680130266421665, "rhomolar_units": "mol/m^3", "smolar": 95.29854986426196, "smolar_units": "J/mol/K" } }, "T_max": 600, "T_max_units": "K", "Ttriple": 277.06, "Ttriple_units": "K", "acentric": 0.346, "acentric_units": "-", "alpha0": [ { "a1": 4.9916462, "a2": -0.1709449, "type": "IdealGasHelmholtzLead" }, { "a": 8.28421, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 1.48525, 0.822585, 16.2453, 1.15925 ], "t": [ 0.03770197486535009, 2.405745062836625, 3.001795332136445, 13.27648114901257 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 5, 1, 1, 2, 3, 4, 1, 2, 7, 1, 2, 3 ], "l": [ 0, 0, 0, 0, 0, 0, 1, 1, 1, 2, 2, 2 ], "n": [ 0.00052683187, 1.353396, -2.649283, -0.2785412, 0.1742554, 0.031606252, 0.399866, 1.178144, -0.0235281, -1.015, -0.7880436, -0.12696 ], "t": [ 1, 0.227, 1.05, 1.06, 0.5, 0.78, 1.3, 1.347, 0.706, 2, 2.5, 4.262 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 1.24, 0.821, 15.45, 2.21, 437, 0.743 ], "d": [ 1, 1, 2, 2, 3, 3 ], "epsilon": [ 0.6734, 0.9239, 0.8636, 1.0507, 0.8482, 0.7522 ], "eta": [ 0.9667, 1.5154, 1.0591, 1.6642, 12.4856, 0.9662 ], "gamma": [ 1.2827, 0.4317, 1.1217, 1.1871, 1.1243, 0.4203 ], "n": [ 1.2198, -0.4883, -0.0033293, -0.0035387, -0.51172, -0.16882 ], "t": [ 1, 2.124, 0.4, 3.5, 0.5, 2.7 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 557.0, "T_min": 556.9999904919641, "_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": [ 0.0, 0.0, -2.1173490191325178e-07, 557.0008469396076 ], "cV": [ 0.0, 0.0, 2.0050706260121842e-07, 556.9991979717496 ], "rhomolar_max": 4044.9053782587557, "rhomolar_min": 3952.580044972171 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.0900779, "molar_mass_units": "kg/mol", "p_max": 60000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=11526", "ALIASES": [ "DMC", "dimethylcarbonate", "DIMETHYLCARBONATE" ], "CAS": "616-38-6", "CHEMSPIDER_ID": 11526, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": 3, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 2, "Name": "DimethylCarbonate", "ODP": -1.0, "PH": 0 }, "FORMULA": "C_{3}H_{6}O_{3}", "INCHI_KEY": "IEJIGPNLZYLLBP-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3", "NAME": "DimethylCarbonate", "REFPROP_NAME": "DMC", "SMILES": "COC(=O)OC" }, "STATES": { "critical": { "T": 557.0, "T_units": "K", "hmolar": 46192.11476166875, "hmolar_units": "J/mol", "p": 4908800.0, "p_units": "Pa", "rhomolar": 4000.0, "rhomolar_units": "mol/m^3", "smolar": 97.29807828801468, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 277.06, "T_units": "K", "hmolar": -14541.45895851501, "hmolar_units": "J/mol", "p": 2226.523727216828, "p_units": "Pa", "rhomolar": 12111.201661172101, "rhomolar_units": "mol/m^3", "smolar": -45.58846898543079, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 277.06, "T_units": "K", "hmolar": 24492.69848570479, "hmolar_units": "J/mol", "p": 2226.523728030413, "p_units": "Pa", "rhomolar": 0.9680130266421665, "rhomolar_units": "mol/m^3", "smolar": 95.29854986426196, "smolar_units": "J/mol/K" } } }