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

InChI

InChI=1S/C18H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-17(21)12-13-18(22)24-15-16(19)20/h12-13,16H,2-11,14-15H2,1H3/b13-12+

InChI Key

IDWSWXWSQPMUQF-OUKQBFOZSA-N

Formula

C18H30Cl2O4

SMILES

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

Molecular Weight¹

381.33

• 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	[432.50; 950.68]	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			4.72620e+01
Coefficient B			1.64372e+00
Coefficient C			-8.94000e-04
Coefficient D			1.53700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.50	J/mol×K	273.00	Calculated Property
Cp,gas	523.69	J/mol×K	353.78	Calculated Property
Cp,gas	605.34	J/mol×K	434.56	Calculated Property
Cp,gas	677.94	J/mol×K	515.33	Calculated Property
Cp,gas	741.98	J/mol×K	596.11	Calculated Property
Cp,gas	797.93	J/mol×K	676.89	Calculated Property
Cp,gas	846.30	J/mol×K	757.67	Calculated Property
Cp,gas	887.55	J/mol×K	838.44	Calculated Property
Cp,gas	922.18	J/mol×K	919.22	Calculated Property
Cp,gas	950.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012438; 0.0000604]	Pa×s	[417.04; 696.90]	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			-1.42223e+01
Coefficient B			3.14146e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			417.04
Temperature range, max.			696.90
η	0.0012438	Pa×s	417.04	Calculated Property
η	0.0007375	Pa×s	448.14	Calculated Property
η	0.0004680	Pa×s	479.23	Calculated Property
η	0.0003139	Pa×s	510.33	Calculated Property
η	0.0002204	Pa×s	541.42	Calculated Property
η	0.0001608	Pa×s	572.52	Calculated Property
η	0.0001212	Pa×s	603.61	Calculated Property
η	0.0000939	Pa×s	634.71	Calculated Property
η	0.0000746	Pa×s	665.80	Calculated Property
η	0.0000604	Pa×s	696.90	Calculated Property

Similar Compounds

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

Sources

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

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