Chemical Properties of Fumaric acid, decyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C21H38O4/c1-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-21(17(2)3)18(4)5/h14-15,17-18,21H,6-13,16H2,1-5H3/b15-14+

InChI Key

VSCNDMTYLCLTFJ-CCEZHUSRSA-N

Formula

C21H38O4

SMILES

CCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

354.52

• 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	[468.70; 1089.99]	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			1.53890e+01
Coefficient B			1.92700e+00
Coefficient C			-1.02280e-03
Coefficient D			1.70400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	468.70	J/mol×K	273.00	Calculated Property
Cp,gas	576.65	J/mol×K	353.78	Calculated Property
Cp,gas	673.62	J/mol×K	434.56	Calculated Property
Cp,gas	760.13	J/mol×K	515.33	Calculated Property
Cp,gas	836.74	J/mol×K	596.11	Calculated Property
Cp,gas	903.98	J/mol×K	676.89	Calculated Property
Cp,gas	962.38	J/mol×K	757.67	Calculated Property
Cp,gas	1012.49	J/mol×K	838.44	Calculated Property
Cp,gas	1054.85	J/mol×K	919.22	Calculated Property
Cp,gas	1089.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029455; 0.0000458]	Pa×s	[361.01; 689.27]	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			-1.45722e+01
Coefficient B			3.15694e+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.			361.01
Temperature range, max.			689.27
η	0.0029455	Pa×s	361.01	Calculated Property
η	0.0013203	Pa×s	397.48	Calculated Property
η	0.0006773	Pa×s	433.96	Calculated Property
η	0.0003853	Pa×s	470.43	Calculated Property
η	0.0002377	Pa×s	506.90	Calculated Property
η	0.0001565	Pa×s	543.37	Calculated Property
η	0.0001086	Pa×s	579.85	Calculated Property
η	0.0000787	Pa×s	616.32	Calculated Property
η	0.0000591	Pa×s	652.79	Calculated Property
η	0.0000458	Pa×s	689.27	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, decyl 2,4-dimethylpent-3-yl ester.

Sources

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

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