Chemical Properties of Fumaric acid, 3-oxobut-2-yl pentadecyl ester

InChI

InChI=1S/C23H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)17-18-23(26)28-21(3)20(2)24/h17-18,21H,4-16,19H2,1-3H3/b18-17+

InChI Key

RFWNPTLLHMDDFR-ISLYRVAYSA-N

Formula

C23H40O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C)C(C)=O

Molecular Weight¹

396.56

• 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).
• 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	[512.68; 1181.11]	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			2.42940e+01
Coefficient B			2.07716e+00
Coefficient C			-1.10650e-03
Coefficient D			1.86160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.68	J/mol×K	273.00	Calculated Property
Cp,gas	628.90	J/mol×K	353.78	Calculated Property
Cp,gas	733.26	J/mol×K	434.56	Calculated Property
Cp,gas	826.35	J/mol×K	515.33	Calculated Property
Cp,gas	908.75	J/mol×K	596.11	Calculated Property
Cp,gas	981.06	J/mol×K	676.89	Calculated Property
Cp,gas	1043.86	J/mol×K	757.67	Calculated Property
Cp,gas	1097.75	J/mol×K	838.44	Calculated Property
Cp,gas	1143.30	J/mol×K	919.22	Calculated Property
Cp,gas	1181.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007806; 0.0000378]	Pa×s	[463.48; 771.19]	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			-1.47412e+01
Coefficient B			3.51581e+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.			463.48
Temperature range, max.			771.19
η	0.0007806	Pa×s	463.48	Calculated Property
η	0.0004635	Pa×s	497.67	Calculated Property
η	0.0002944	Pa×s	531.86	Calculated Property
η	0.0001975	Pa×s	566.05	Calculated Property
η	0.0001386	Pa×s	600.24	Calculated Property
η	0.0001011	Pa×s	634.43	Calculated Property
η	0.0000761	Pa×s	668.62	Calculated Property
η	0.0000590	Pa×s	702.81	Calculated Property
η	0.0000468	Pa×s	737.00	Calculated Property
η	0.0000378	Pa×s	771.19	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-oxobut-2-yl pentadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.