Chemical Properties of Sebacic acid, but-3-enyl pentadecyl ester

InChI

InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-22-19-16-15-18-21-24-28(30)32-26-6-4-2/h4H,2-3,5-27H2,1H3

InChI Key

QWUVIJUUGFNXQQ-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

C=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

466.74

• 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	[643.55; 1503.17]	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			2.43540e+01
Coefficient B			2.62922e+00
Coefficient C			-1.38750e-03
Coefficient D			2.37100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	643.55	J/mol×K	273.00	Calculated Property
Cp,gas	791.35	J/mol×K	353.78	Calculated Property
Cp,gas	924.34	J/mol×K	434.56	Calculated Property
Cp,gas	1043.25	J/mol×K	515.33	Calculated Property
Cp,gas	1148.84	J/mol×K	596.11	Calculated Property
Cp,gas	1241.85	J/mol×K	676.89	Calculated Property
Cp,gas	1323.05	J/mol×K	757.67	Calculated Property
Cp,gas	1393.16	J/mol×K	838.44	Calculated Property
Cp,gas	1452.96	J/mol×K	919.22	Calculated Property
Cp,gas	1503.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004325; 0.0000197]	Pa×s	[499.49; 848.21]	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			-1.52642e+01
Coefficient B			3.75536e+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.			499.49
Temperature range, max.			848.21
η	0.0004325	Pa×s	499.49	Calculated Property
η	0.0002518	Pa×s	538.24	Calculated Property
η	0.0001576	Pa×s	576.98	Calculated Property
η	0.0001046	Pa×s	615.73	Calculated Property
η	0.0000729	Pa×s	654.48	Calculated Property
η	0.0000529	Pa×s	693.23	Calculated Property
η	0.0000397	Pa×s	731.97	Calculated Property
η	0.0000307	Pa×s	770.72	Calculated Property
η	0.0000243	Pa×s	809.47	Calculated Property
η	0.0000197	Pa×s	848.21	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, but-3-enyl pentadecyl ester.

Sources

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

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