Chemical Properties of Fumaric acid, trans-hex-3-enyl tridecyl ester

InChI

InChI=1S/C23H40O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8,18-19H,3-5,7,9-17,20-21H2,1-2H3/b8-6+,19-18+

InChI Key

NWYSCFQMVILLBL-OVWOTOAESA-N

Formula

C23H40O4

SMILES

CCC=CCCOC(=O)C=CC(=O)OCCCCCCCCCCCCC

Molecular Weight¹

380.56

• 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).
• IE : Ionization energy (eV).
• 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 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	[498.07; 1160.98]	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			4.43500e+00
Coefficient B			2.11924e+00
Coefficient C			-1.20580e-03
Coefficient D			2.43100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	498.07	J/mol×K	273.00	Calculated Property
Cp,gas	614.02	J/mol×K	353.78	Calculated Property
Cp,gas	717.61	J/mol×K	434.56	Calculated Property
Cp,gas	809.60	J/mol×K	515.33	Calculated Property
Cp,gas	890.75	J/mol×K	596.11	Calculated Property
Cp,gas	961.85	J/mol×K	676.89	Calculated Property
Cp,gas	1023.65	J/mol×K	757.67	Calculated Property
Cp,gas	1076.92	J/mol×K	838.44	Calculated Property
Cp,gas	1122.44	J/mol×K	919.22	Calculated Property
Cp,gas	1160.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009049; 0.0000377]	Pa×s	[423.47; 729.43]	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			-1.45833e+01
Coefficient B			3.20804e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			423.47
Temperature range, max.			729.43
η	0.0009049	Pa×s	423.47	Calculated Property
η	0.0005153	Pa×s	457.47	Calculated Property
η	0.0003173	Pa×s	491.46	Calculated Property
η	0.0002080	Pa×s	525.46	Calculated Property
η	0.0001435	Pa×s	559.45	Calculated Property
η	0.0001033	Pa×s	593.45	Calculated Property
η	0.0000771	Pa×s	627.45	Calculated Property
η	0.0000593	Pa×s	661.44	Calculated Property
η	0.0000468	Pa×s	695.44	Calculated Property
η	0.0000377	Pa×s	729.43	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, trans-hex-3-enyl tridecyl ester.

Sources

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

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