Chemical Properties of Fumaric acid, 2,2-dichloroethyl pentadecyl ester

InChI

InChI=1S/C21H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-20(24)15-16-21(25)27-18-19(22)23/h15-16,19H,2-14,17-18H2,1H3/b16-15+

InChI Key

MWXYEQDJMAXBGQ-FOCLMDBBSA-N

Formula

C21H36Cl2O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCC(Cl)Cl

Molecular Weight¹

423.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.14; 1105.46]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.45350e+01
Coefficient B			1.92872e+00
Coefficient C			-1.05720e-03
Coefficient D			1.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	496.14	J/mol×K	273.00	Calculated Property
Cp,gas	602.94	J/mol×K	353.78	Calculated Property
Cp,gas	698.57	J/mol×K	434.56	Calculated Property
Cp,gas	783.63	J/mol×K	515.33	Calculated Property
Cp,gas	858.71	J/mol×K	596.11	Calculated Property
Cp,gas	924.42	J/mol×K	676.89	Calculated Property
Cp,gas	981.35	J/mol×K	757.67	Calculated Property
Cp,gas	1030.10	J/mol×K	838.44	Calculated Property
Cp,gas	1071.27	J/mol×K	919.22	Calculated Property
Cp,gas	1105.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008086; 0.0000390]	Pa×s	[450.85; 750.56]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47146e+01
Coefficient B			3.42394e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			450.85
Temperature range, max.			750.56
η	0.0008086	Pa×s	450.85	Calculated Property
η	0.0004796	Pa×s	484.15	Calculated Property
η	0.0003042	Pa×s	517.45	Calculated Property
η	0.0002039	Pa×s	550.75	Calculated Property
η	0.0001431	Pa×s	584.05	Calculated Property
η	0.0001043	Pa×s	617.35	Calculated Property
η	0.0000785	Pa×s	650.65	Calculated Property
η	0.0000608	Pa×s	683.95	Calculated Property
η	0.0000482	Pa×s	717.25	Calculated Property
η	0.0000390	Pa×s	750.56	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,2-dichloroethyl pentadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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