Chemical Properties of Sebacic acid, heptyl trans-3-hexenyl ester

InChI

InChI=1S/C23H42O4/c1-3-5-7-13-17-21-27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6+

InChI Key

NAQLRNNIJULCDL-SOFGYWHQSA-N

Formula

C23H42O4

SMILES

CCC=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCC

Molecular Weight¹

382.58

• 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).
• 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 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	[512.07; 1191.56]	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			1.86170e+01
Coefficient B			2.09924e+00
Coefficient C			-1.12200e-03
Coefficient D			1.95700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.07	J/mol×K	273.00	Calculated Property
Cp,gas	629.52	J/mol×K	353.78	Calculated Property
Cp,gas	735.04	J/mol×K	434.56	Calculated Property
Cp,gas	829.24	J/mol×K	515.33	Calculated Property
Cp,gas	912.75	J/mol×K	596.11	Calculated Property
Cp,gas	986.19	J/mol×K	676.89	Calculated Property
Cp,gas	1050.17	J/mol×K	757.67	Calculated Property
Cp,gas	1105.31	J/mol×K	838.44	Calculated Property
Cp,gas	1152.23	J/mol×K	919.22	Calculated Property
Cp,gas	1191.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009579; 0.0000437]	Pa×s	[428.55; 725.50]	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			-1.44920e+01
Coefficient B			3.23180e+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.			428.55
Temperature range, max.			725.50
η	0.0009579	Pa×s	428.55	Calculated Property
η	0.0005587	Pa×s	461.54	Calculated Property
η	0.0003502	Pa×s	494.54	Calculated Property
η	0.0002327	Pa×s	527.53	Calculated Property
η	0.0001622	Pa×s	560.53	Calculated Property
η	0.0001178	Pa×s	593.52	Calculated Property
η	0.0000884	Pa×s	626.52	Calculated Property
η	0.0000683	Pa×s	659.51	Calculated Property
η	0.0000541	Pa×s	692.51	Calculated Property
η	0.0000437	Pa×s	725.50	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl trans-3-hexenyl ester.

Sources

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

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