Chemical Properties of Adipic acid, heptadecyl 3-hexyl ester

InChI

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

InChI Key

VUIRZQOLEPRLTM-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(CC)CCC

Molecular Weight¹

468.76

• 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).
• 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, Ionization energy 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	[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
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 Adipic acid, heptadecyl 3-hexyl ester.

Sources

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

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