Chemical Properties of Sebacic acid, 3-methylbutyl tetradecyl ester

InChI

InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-25-32-28(30)22-19-16-13-14-17-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3

InChI Key

NNPSXICJGHRDKT-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

468.75

• 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	[653.04; 1532.22]	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			2.56630e+01
Coefficient B			2.65516e+00
Coefficient C			-1.36780e-03
Coefficient D			2.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	653.04	J/mol×K	273.00	Calculated Property
Cp,gas	803.51	J/mol×K	353.78	Calculated Property
Cp,gas	939.17	J/mol×K	434.56	Calculated Property
Cp,gas	1060.71	J/mol×K	515.33	Calculated Property
Cp,gas	1168.82	J/mol×K	596.11	Calculated Property
Cp,gas	1264.20	J/mol×K	676.89	Calculated Property
Cp,gas	1347.53	J/mol×K	757.67	Calculated Property
Cp,gas	1419.52	J/mol×K	838.44	Calculated Property
Cp,gas	1480.85	J/mol×K	919.22	Calculated Property
Cp,gas	1532.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005025; 0.0000167]	Pa×s	[486.25; 851.05]	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			-1.55309e+01
Coefficient B			3.85834e+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.			486.25
Temperature range, max.			851.05
η	0.0005025	Pa×s	486.25	Calculated Property
η	0.0002729	Pa×s	526.78	Calculated Property
η	0.0001617	Pa×s	567.32	Calculated Property
η	0.0001027	Pa×s	607.85	Calculated Property
η	0.0000691	Pa×s	648.38	Calculated Property
η	0.0000487	Pa×s	688.92	Calculated Property
η	0.0000357	Pa×s	729.45	Calculated Property
η	0.0000270	Pa×s	769.99	Calculated Property
η	0.0000210	Pa×s	810.52	Calculated Property
η	0.0000167	Pa×s	851.05	Calculated Property

Similar Compounds

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

Sources

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

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