Chemical Properties of Sebacic acid, heptyl 2-methylpent-3-yl ester

InChI

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

InChI Key

BDSUPQZMYZDHFB-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

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

Molecular Weight¹

384.59

• 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	[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, heptyl 2-methylpent-3-yl ester.

Sources

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

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