Chemical Properties of Sebacic acid, butyl 4-heptyl ester

InChI

InChI=1S/C21H40O4/c1-4-7-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(14-5-2)15-6-3/h19H,4-18H2,1-3H3

InChI Key

GFECQPZVSMHDEU-UHFFFAOYSA-N

Formula

C21H40O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OC(CCC)CCC

Molecular Weight¹

356.54

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.33; 1119.49]	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			3.29350e+01
Coefficient B			1.89516e+00
Coefficient C			-9.32600e-04
Coefficient D			1.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.33	J/mol×K	273.00	Calculated Property
Cp,gas	592.17	J/mol×K	353.78	Calculated Property
Cp,gas	690.55	J/mol×K	434.56	Calculated Property
Cp,gas	778.88	J/mol×K	515.33	Calculated Property
Cp,gas	857.53	J/mol×K	596.11	Calculated Property
Cp,gas	926.91	J/mol×K	676.89	Calculated Property
Cp,gas	987.40	J/mol×K	757.67	Calculated Property
Cp,gas	1039.40	J/mol×K	838.44	Calculated Property
Cp,gas	1083.30	J/mol×K	919.22	Calculated Property
Cp,gas	1119.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017066; 0.0000630]	Pa×s	[396.09; 683.87]	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			-1.42125e+01
Coefficient B			3.10506e+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.			396.09
Temperature range, max.			683.87
η	0.0017066	Pa×s	396.09	Calculated Property
η	0.0009502	Pa×s	428.07	Calculated Property
η	0.0005739	Pa×s	460.04	Calculated Property
η	0.0003701	Pa×s	492.02	Calculated Property
η	0.0002518	Pa×s	523.99	Calculated Property
η	0.0001791	Pa×s	555.97	Calculated Property
η	0.0001322	Pa×s	587.94	Calculated Property
η	0.0001007	Pa×s	619.92	Calculated Property
η	0.0000787	Pa×s	651.89	Calculated Property
η	0.0000630	Pa×s	683.87	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 4-heptyl ester.

Sources

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

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