{ "ANCILLARIES": { "hL": { "A": [ -689824.5182033979, 2210.1878866104134, -5.162345433006324, 0.012586176519363465, -2.0315098894815088e-05, 1.9004879731227752e-08, -9.770576673700396e-12, 2.0876123891578555e-15 ], "B": [ 1, -0.0012772749434368984 ], "Tmax": 771.9, "Tmin": 260.0, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 980.3881490717031, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ 274991.03638317436, -1608.2290242993533, 5.7002903514569025, -0.013327843321033966, 1.937466795046615e-05, -1.638683279205826e-08, 6.8576693199877215e-12, -8.479916594962734e-16 ], "B": [ 1, -0.001273304310991801 ], "Tmax": 771.9, "Tmin": 260.0, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 2134.363076263455, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 772.0, "Tmax": 771.9999999999981, "Tmin": 260.0, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.053345180846797735, "n": [ -25.171539708995944, 21.300715242539297, -10.547301052562263, -5.070148438171643, -8.2157358110308, -17.156009546790635 ], "reducing_value": 1369000.0, "t": [ 1.067, 1.304, 2.092, 3.573, 8.295, 16.56 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 772.0, "Tmax": 771.9999999999981, "Tmin": 260.0, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.4636353248821057, "n": [ -3.4225866559516347, 10.532089346925508, 0.07661846074876404, -8.087103457644357, 4.322469536788842, 17.275840082570898 ], "reducing_value": 847.3000000000001, "t": [ 0.451, 0.512, 0.614, 0.912, 1.32, 15.284 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 772.0, "Tmax": 771.9999999999981, "Tmin": 260.0, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.926818751631453, "n": [ -2.012921006619591, -9.777603995624053, 16.334676098140577, -44.688343682216974, 150.07731250993606, -135.66611431468743 ], "reducing_value": 847.3000000000001, "t": [ 0.443, 0.755, 1.565, 2.595, 4.024, 4.333 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -2338.405075571247, 14.846888142102749, -0.05727219991956669, 0.00015038936874880622, -2.532168035318571e-07, 2.6067187398534145e-10, -1.5015339738881622e-13, 3.7097764366152743e-17 ], "B": [ 1, -0.0012690471773418865 ], "Tmax": 771.9, "Tmin": 260.0, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.610725231529102, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 3354.5912916597117, -32.684062220038136, 0.1530927185770365, -0.0004231103781459977, 7.228005882737895e-07, -7.513085462897543e-10, 4.360132059380106e-13, -1.0836271928654295e-16 ], "B": [ 1, -0.0012598984510951762 ], "Tmax": 771.9, "Tmin": 260.0, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 3.5861412622290265, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Huber-EF-2009", "STATES": { "hs_anchor": { "T": 849.2, "T_units": "K", "hmolar": 215665.03683286312, "hmolar_units": "J/mol", "p": 2934860.8009522427, "p_units": "Pa", "rhomolar": 762.57, "rhomolar_units": "mol/m^3", "smolar": 289.1669371623684, "smolar_units": "J/mol/K" }, "reducing": { "T": 772, "T_units": "K", "hmolar": 144967.12971920156, "hmolar_units": "J/mol", "p": 1369000, "p_units": "Pa", "rhomolar": 847.3000000000001, "rhomolar_units": "mol/m^3", "smolar": 204.31103572128737, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 260.0, "T_units": "K", "hmolar": -257522.28126567914, "hmolar_units": "J/mol", "p": 7.39936963447781e-07, "p_units": "Pa", "rhomolar": 3162.072727020763, "rhomolar_units": "mol/m^3", "smolar": -602.4772457918979, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 260.0, "T_units": "K", "hmolar": -139328.19572701893, "hmolar_units": "J/mol", "p": 4.250280354779047e-07, "p_units": "Pa", "rhomolar": 1.9661178886570593e-10, "rhomolar_units": "mol/m^3", "smolar": -147.88460910474285, "smolar_units": "J/mol/K" } }, "T_max": 1000, "T_max_units": "K", "Ttriple": 218.65, "Ttriple_units": "K", "acentric": 1.142605258673496, "acentric_units": "-", "alpha0": [ { "a1": -1, "a2": 0, "type": "IdealGasHelmholtzLead" }, { "a": -1, "type": "IdealGasHelmholtzLogTau" }, { "T0": 298, "Tc": 772, "c": [ 9.572622290387171 ], "t": [ 0.214648 ], "type": "IdealGasHelmholtzCP0PolyT" }, { "n": [ 34.92452677692582, 9.794043446174333, 57.11499178781286 ], "t": [ 1.571554404145078, 0.7496787564766839, 3.626670984455958 ], "type": "IdealGasHelmholtzPlanckEinstein" }, { "a1": 49.2444711864376, "a2": -21.5426591230667, "reference": "NBP", "type": "IdealGasHelmholtzEnthalpyEntropyOffset" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 7 ], "l": [ 0, 0, 0, 0, 0, 2, 2, 1, 2, 1 ], "n": [ 0.04070829, 2.412375, -3.756194, -0.1526466, 0.04682918, -1.470958, -0.76455, 1.908964, -1.629366, -0.01242073 ], "t": [ 1, 0.15, 1.24, 1.6, 1.28, 2.9, 3.15, 2.16, 2.8, 1.4 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.9, 0.65, 0.75 ], "d": [ 1, 1, 3 ], "epsilon": [ 0.79, 0.9, 0.76 ], "eta": [ 1.1, 1.6, 1.1 ], "gamma": [ 1.14, 0.65, 0.77 ], "n": [ 2.180707, -0.7537264, -0.4347781 ], "t": [ 2.5, 3, 3.1 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 772.0, "T_min": 771.9954317177073, "_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": [ -7.06979551641186e-10, -5.571201614845291e-05, 0.0959322410965671, 731.1432812971636 ], "cV": [ 2.442004237931142e-08, -0.0001196088172901947, 0.15009438984004297, 715.8397616487149 ], "rhomolar_max": 856.2121900411788, "rhomolar_min": 838.4061393625097 }, "gas_constant": 8.314472, "gas_constant_units": "J/mol/K", "molar_mass": 0.29245618, "molar_mass_units": "kg/mol", "p_max": 50000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=4477947", "ALIASES": [ "METHYLLINOLENATE", "MLINOLEN" ], "CAS": "301-00-8", "CHEMSPIDER_ID": 4477947, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": -1, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": -1, "Name": "MethylLinolenate", "ODP": -1.0, "PH": -1 }, "FORMULA": "C_{19}H_{32}O_{2}", "INCHI_KEY": "DVWSXZIHSUZZKJ-YSTUJMKBSA-N", "INCHI_STRING": "InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-", "NAME": "MethylLinolenate", "REFPROP_NAME": "MLINOLEN", "SMILES": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC" }, "STATES": { "critical": { "T": 772.0, "T_units": "K", "hmolar": 144901.9378339763, "hmolar_units": "J/mol", "p": 1369000.0, "p_units": "Pa", "rhomolar": 847.3000000000002, "rhomolar_units": "mol/m^3", "smolar": 204.22939334178912, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 260.0, "T_units": "K", "hmolar": -257522.28126567914, "hmolar_units": "J/mol", "p": 7.39936963447781e-07, "p_units": "Pa", "rhomolar": 3162.072727020763, "rhomolar_units": "mol/m^3", "smolar": -602.4772457918979, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 260.0, "T_units": "K", "hmolar": -139328.19572701893, "hmolar_units": "J/mol", "p": 4.250280354779047e-07, "p_units": "Pa", "rhomolar": 1.9661178886570593e-10, "rhomolar_units": "mol/m^3", "smolar": -147.88460910474285, "smolar_units": "J/mol/K" } } }