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

InChI

InChI=1S/C25H46O4/c1-3-5-7-8-9-10-13-16-19-23-29-25(27)21-18-15-12-11-14-17-20-24(26)28-22-6-4-2/h4H,2-3,5-23H2,1H3

InChI Key

INWUROFBHOQUNK-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

C=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCC

Molecular Weight¹

410.64

• 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	[558.69; 1296.81]	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			2.79900e+01
Coefficient B			2.24922e+00
Coefficient C			-1.16990e-03
Coefficient D			1.89500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.69	J/mol×K	273.00	Calculated Property
Cp,gas	685.68	J/mol×K	353.78	Calculated Property
Cp,gas	800.03	J/mol×K	434.56	Calculated Property
Cp,gas	902.33	J/mol×K	515.33	Calculated Property
Cp,gas	993.19	J/mol×K	596.11	Calculated Property
Cp,gas	1073.21	J/mol×K	676.89	Calculated Property
Cp,gas	1142.98	J/mol×K	757.67	Calculated Property
Cp,gas	1203.10	J/mol×K	838.44	Calculated Property
Cp,gas	1254.18	J/mol×K	919.22	Calculated Property
Cp,gas	1296.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007764; 0.0000393]	Pa×s	[454.41; 759.04]	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			-1.45963e+01
Coefficient B			3.37872e+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.			454.41
Temperature range, max.			759.04
η	0.0007764	Pa×s	454.41	Calculated Property
η	0.0004637	Pa×s	488.26	Calculated Property
η	0.0002961	Pa×s	522.11	Calculated Property
η	0.0001997	Pa×s	555.95	Calculated Property
η	0.0001409	Pa×s	589.80	Calculated Property
η	0.0001032	Pa×s	623.65	Calculated Property
η	0.0000781	Pa×s	657.50	Calculated Property
η	0.0000607	Pa×s	691.34	Calculated Property
η	0.0000483	Pa×s	725.19	Calculated Property
η	0.0000393	Pa×s	759.04	Calculated Property

Similar Compounds

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

Sources

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

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