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

InChI

InChI=1S/C18H32O4/c1-6-7-8-9-10-13-21-16(19)11-12-17(20)22-18(14(2)3)15(4)5/h11-12,14-15,18H,6-10,13H2,1-5H3/b12-11+

InChI Key

JZVYNTPHDBNLOR-VAWYXSNFSA-N

Formula

C18H32O4

SMILES

CCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

312.44

• 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	[405.06; 935.22]	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			1.81160e+01
Coefficient B			1.64200e+00
Coefficient C			-8.59600e-04
Coefficient D			1.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.06	J/mol×K	273.00	Calculated Property
Cp,gas	497.40	J/mol×K	353.78	Calculated Property
Cp,gas	580.38	J/mol×K	434.56	Calculated Property
Cp,gas	654.45	J/mol×K	515.33	Calculated Property
Cp,gas	720.01	J/mol×K	596.11	Calculated Property
Cp,gas	777.49	J/mol×K	676.89	Calculated Property
Cp,gas	827.33	J/mol×K	757.67	Calculated Property
Cp,gas	869.95	J/mol×K	838.44	Calculated Property
Cp,gas	905.77	J/mol×K	919.22	Calculated Property
Cp,gas	935.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049098; 0.0000676]	Pa×s	[327.20; 638.92]	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			-1.41016e+01
Coefficient B			2.87446e+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.			327.20
Temperature range, max.			638.92
η	0.0049098	Pa×s	327.20	Calculated Property
η	0.0021176	Pa×s	361.84	Calculated Property
η	0.0010579	Pa×s	396.47	Calculated Property
η	0.0005909	Pa×s	431.11	Calculated Property
η	0.0003599	Pa×s	465.74	Calculated Property
η	0.0002348	Pa×s	500.38	Calculated Property
η	0.0001618	Pa×s	535.01	Calculated Property
η	0.0001167	Pa×s	569.65	Calculated Property
η	0.0000874	Pa×s	604.28	Calculated Property
η	0.0000676	Pa×s	638.92	Calculated Property

Similar Compounds

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

Sources

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

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