Chemical Properties of Sebacic acid, 2-heptyl isohexyl ester

InChI

InChI=1S/C23H44O4/c1-5-6-11-16-21(4)27-23(25)18-13-10-8-7-9-12-17-22(24)26-19-14-15-20(2)3/h20-21H,5-19H2,1-4H3

InChI Key

IAHYFHKBRVHPBQ-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCC(C)OC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

384.60

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.44; 1223.21]	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			2.94350e+01
Coefficient B			2.09108e+00
Coefficient C			-1.04460e-03
Coefficient D			1.47300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.44	J/mol×K	273.00	Calculated Property
Cp,gas	644.99	J/mol×K	353.78	Calculated Property
Cp,gas	752.95	J/mol×K	434.56	Calculated Property
Cp,gas	849.78	J/mol×K	515.33	Calculated Property
Cp,gas	935.96	J/mol×K	596.11	Calculated Property
Cp,gas	1011.93	J/mol×K	676.89	Calculated Property
Cp,gas	1078.18	J/mol×K	757.67	Calculated Property
Cp,gas	1135.17	J/mol×K	838.44	Calculated Property
Cp,gas	1183.36	J/mol×K	919.22	Calculated Property
Cp,gas	1223.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016357; 0.0000432]	Pa×s	[403.63; 721.24]	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			-1.46688e+01
Coefficient B			3.33120e+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.			403.63
Temperature range, max.			721.24
η	0.0016357	Pa×s	403.63	Calculated Property
η	0.0008424	Pa×s	438.92	Calculated Property
η	0.0004789	Pa×s	474.21	Calculated Property
η	0.0002944	Pa×s	509.50	Calculated Property
η	0.0001927	Pa×s	544.79	Calculated Property
η	0.0001329	Pa×s	580.08	Calculated Property
η	0.0000956	Pa×s	615.37	Calculated Property
η	0.0000713	Pa×s	650.66	Calculated Property
η	0.0000548	Pa×s	685.95	Calculated Property
η	0.0000432	Pa×s	721.24	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-heptyl isohexyl ester.

Sources

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

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