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

InChI

InChI=1S/C31H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-24-21-18-17-20-23-26-30(32)34-28-6-4-2/h4,6H,3,5,7-29H2,1-2H3/b6-4+

InChI Key

JVEUHNNXHIFJSG-GQCTYLIASA-N

Formula

C31H58O4

SMILES

CC=CCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

494.79

• 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	[681.78; 1604.28]	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			1.13450e+01
Coefficient B			2.85924e+00
Coefficient C			-1.55720e-03
Coefficient D			2.90900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	681.78	J/mol×K	273.00	Calculated Property
Cp,gas	840.86	J/mol×K	353.78	Calculated Property
Cp,gas	983.66	J/mol×K	434.56	Calculated Property
Cp,gas	1111.07	J/mol×K	515.33	Calculated Property
Cp,gas	1224.04	J/mol×K	596.11	Calculated Property
Cp,gas	1323.48	J/mol×K	676.89	Calculated Property
Cp,gas	1410.30	J/mol×K	757.67	Calculated Property
Cp,gas	1485.43	J/mol×K	838.44	Calculated Property
Cp,gas	1549.78	J/mol×K	919.22	Calculated Property
Cp,gas	1604.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002904; 0.0000110]	Pa×s	[518.71; 904.02]	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			-1.58268e+01
Coefficient B			3.98508e+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.			518.71
Temperature range, max.			904.02
η	0.0002904	Pa×s	518.71	Calculated Property
η	0.0001617	Pa×s	561.52	Calculated Property
η	0.0000978	Pa×s	604.33	Calculated Property
η	0.0000632	Pa×s	647.15	Calculated Property
η	0.0000431	Pa×s	689.96	Calculated Property
η	0.0000308	Pa×s	732.77	Calculated Property
η	0.0000228	Pa×s	775.58	Calculated Property
η	0.0000174	Pa×s	818.39	Calculated Property
η	0.0000137	Pa×s	861.20	Calculated Property
η	0.0000110	Pa×s	904.02	Calculated Property

Similar Compounds

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

Sources

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

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