Chemical Properties of Sebacic acid, 2-hexyl propyl ester

InChI

InChI=1S/C19H36O4/c1-4-6-13-17(3)23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-5-2/h17H,4-16H2,1-3H3

InChI Key

HDGXTQXBWMZYRS-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCCCC(C)OC(=O)CCCCCCCCC(=O)OCCC

Molecular Weight¹

328.49

• 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).
• 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).
• 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 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	[440.90; 1016.31]	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			3.47530e+01
Coefficient B			1.70516e+00
Coefficient C			-8.23800e-04
Coefficient D			1.00200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	440.90	J/mol×K	273.00	Calculated Property
Cp,gas	539.33	J/mol×K	353.78	Calculated Property
Cp,gas	628.40	J/mol×K	434.56	Calculated Property
Cp,gas	708.42	J/mol×K	515.33	Calculated Property
Cp,gas	779.71	J/mol×K	596.11	Calculated Property
Cp,gas	842.58	J/mol×K	676.89	Calculated Property
Cp,gas	897.37	J/mol×K	757.67	Calculated Property
Cp,gas	944.37	J/mol×K	838.44	Calculated Property
Cp,gas	983.91	J/mol×K	919.22	Calculated Property
Cp,gas	1016.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022692; 0.0000829]	Pa×s	[373.55; 648.35]	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			-1.38965e+01
Coefficient B			2.91674e+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.			373.55
Temperature range, max.			648.35
η	0.0022692	Pa×s	373.55	Calculated Property
η	0.0012579	Pa×s	404.08	Calculated Property
η	0.0007576	Pa×s	434.62	Calculated Property
η	0.0004876	Pa×s	465.15	Calculated Property
η	0.0003314	Pa×s	495.68	Calculated Property
η	0.0002355	Pa×s	526.21	Calculated Property
η	0.0001738	Pa×s	556.75	Calculated Property
η	0.0001324	Pa×s	587.28	Calculated Property
η	0.0001036	Pa×s	617.81	Calculated Property
η	0.0000829	Pa×s	648.35	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-hexyl propyl ester.

Sources

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

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