Chemical Properties of Fumaric acid, 2-chloropropyl tridecyl ester

InChI

InChI=1S/C20H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-17-18(2)21/h14-15,18H,3-13,16-17H2,1-2H3/b15-14+

InChI Key

QLRKWJUGPGGUET-CCEZHUSRSA-N

Formula

C20H35ClO4

SMILES

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

Molecular Weight¹

374.94

• 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	[461.52; 1045.59]	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			3.25530e+01
Coefficient B			1.82694e+00
Coefficient C			-9.82400e-04
Coefficient D			1.68500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	461.52	J/mol×K	273.00	Calculated Property
Cp,gas	563.39	J/mol×K	353.78	Calculated Property
Cp,gas	654.77	J/mol×K	434.56	Calculated Property
Cp,gas	736.20	J/mol×K	515.33	Calculated Property
Cp,gas	808.21	J/mol×K	596.11	Calculated Property
Cp,gas	871.33	J/mol×K	676.89	Calculated Property
Cp,gas	926.10	J/mol×K	757.67	Calculated Property
Cp,gas	973.04	J/mol×K	838.44	Calculated Property
Cp,gas	1012.70	J/mol×K	919.22	Calculated Property
Cp,gas	1045.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013159; 0.0000533]	Pa×s	[409.66; 701.33]	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			-1.43432e+01
Coefficient B			3.15846e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			409.66
Temperature range, max.			701.33
η	0.0013159	Pa×s	409.66	Calculated Property
η	0.0007477	Pa×s	442.07	Calculated Property
η	0.0004590	Pa×s	474.48	Calculated Property
η	0.0002999	Pa×s	506.88	Calculated Property
η	0.0002062	Pa×s	539.29	Calculated Property
η	0.0001480	Pa×s	571.70	Calculated Property
η	0.0001100	Pa×s	604.11	Calculated Property
η	0.0000843	Pa×s	636.52	Calculated Property
η	0.0000663	Pa×s	668.92	Calculated Property
η	0.0000533	Pa×s	701.33	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-chloropropyl tridecyl ester.

Sources

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

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