Chemical Properties of Sebacic acid, but-2-enyl hexyl ester

InChI

InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h4,6H,3,5,7-18H2,1-2H3/b6-4+

InChI Key

SHQQISHGRLYHRG-GQCTYLIASA-N

Formula

C20H36O4

SMILES

CC=CCOC(=O)CCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

340.50

• 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	[448.43; 1036.78]	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			2.13440e+01
Coefficient B			1.81424e+00
Coefficient C			-9.58800e-04
Coefficient D			1.60000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	448.43	J/mol×K	273.00	Calculated Property
Cp,gas	550.26	J/mol×K	353.78	Calculated Property
Cp,gas	641.80	J/mol×K	434.56	Calculated Property
Cp,gas	723.55	J/mol×K	515.33	Calculated Property
Cp,gas	796.02	J/mol×K	596.11	Calculated Property
Cp,gas	859.70	J/mol×K	676.89	Calculated Property
Cp,gas	915.12	J/mol×K	757.67	Calculated Property
Cp,gas	962.76	J/mol×K	838.44	Calculated Property
Cp,gas	1003.15	J/mol×K	919.22	Calculated Property
Cp,gas	1036.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014445; 0.0000669]	Pa×s	[394.74; 670.33]	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			-1.40116e+01
Coefficient B			2.94932e+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.			394.74
Temperature range, max.			670.33
η	0.0014445	Pa×s	394.74	Calculated Property
η	0.0008435	Pa×s	425.36	Calculated Property
η	0.0005295	Pa×s	455.98	Calculated Property
η	0.0003525	Pa×s	486.60	Calculated Property
η	0.0002462	Pa×s	517.23	Calculated Property
η	0.0001790	Pa×s	547.85	Calculated Property
η	0.0001346	Pa×s	578.47	Calculated Property
η	0.0001042	Pa×s	609.09	Calculated Property
η	0.0000826	Pa×s	639.71	Calculated Property
η	0.0000669	Pa×s	670.33	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, but-2-enyl hexyl ester.

Sources

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

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