Chemical Properties of Sebacic acid, 3-methylbutyl nonyl ester

InChI

InChI=1S/C24H46O4/c1-4-5-6-7-10-13-16-20-27-23(25)17-14-11-8-9-12-15-18-24(26)28-21-19-22(2)3/h22H,4-21H2,1-3H3

InChI Key

LNBWNNAGAZCIEH-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

398.62

• 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	[546.97; 1274.27]	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			3.02080e+01
Coefficient B			2.18016e+00
Coefficient C			-1.09580e-03
Coefficient D			1.59700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	546.97	J/mol×K	273.00	Calculated Property
Cp,gas	671.42	J/mol×K	353.78	Calculated Property
Cp,gas	783.78	J/mol×K	434.56	Calculated Property
Cp,gas	884.56	J/mol×K	515.33	Calculated Property
Cp,gas	974.26	J/mol×K	596.11	Calculated Property
Cp,gas	1053.39	J/mol×K	676.89	Calculated Property
Cp,gas	1122.45	J/mol×K	757.67	Calculated Property
Cp,gas	1181.95	J/mol×K	838.44	Calculated Property
Cp,gas	1232.38	J/mol×K	919.22	Calculated Property
Cp,gas	1274.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010938; 0.0000400]	Pa×s	[429.90; 741.21]	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			-1.46980e+01
Coefficient B			3.38754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			429.90
Temperature range, max.			741.21
η	0.0010938	Pa×s	429.90	Calculated Property
η	0.0006082	Pa×s	464.49	Calculated Property
η	0.0003669	Pa×s	499.08	Calculated Property
η	0.0002363	Pa×s	533.67	Calculated Property
η	0.0001606	Pa×s	568.26	Calculated Property
η	0.0001141	Pa×s	602.85	Calculated Property
η	0.0000841	Pa×s	637.44	Calculated Property
η	0.0000640	Pa×s	672.03	Calculated Property
η	0.0000500	Pa×s	706.62	Calculated Property
η	0.0000400	Pa×s	741.21	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-methylbutyl nonyl ester.

Sources

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

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