Chemical Properties of Adipic acid, heptadecyl 4-methylpent-2-yl ester

InChI

InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)22-19-20-23-29(31)33-27(4)25-26(2)3/h26-27H,5-25H2,1-4H3

InChI Key

LFARJZXQTSEUNE-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

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

Molecular Weight¹

468.75

• 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	[652.73; 1532.76]	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			2.39810e+01
Coefficient B			2.66108e+00
Coefficient C			-1.37100e-03
Coefficient D			2.18700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	652.73	J/mol×K	273.00	Calculated Property
Cp,gas	803.50	J/mol×K	353.78	Calculated Property
Cp,gas	939.42	J/mol×K	434.56	Calculated Property
Cp,gas	1061.16	J/mol×K	515.33	Calculated Property
Cp,gas	1169.42	J/mol×K	596.11	Calculated Property
Cp,gas	1264.90	J/mol×K	676.89	Calculated Property
Cp,gas	1348.28	J/mol×K	757.67	Calculated Property
Cp,gas	1420.26	J/mol×K	838.44	Calculated Property
Cp,gas	1481.52	J/mol×K	919.22	Calculated Property
Cp,gas	1532.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006130; 0.0000155]	Pa×s	[471.25; 849.08]	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			-1.56649e+01
Coefficient B			3.89616e+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.			471.25
Temperature range, max.			849.08
η	0.0006130	Pa×s	471.25	Calculated Property
η	0.0003117	Pa×s	513.23	Calculated Property
η	0.0001756	Pa×s	555.21	Calculated Property
η	0.0001072	Pa×s	597.19	Calculated Property
η	0.0000698	Pa×s	639.17	Calculated Property
η	0.0000480	Pa×s	681.15	Calculated Property
η	0.0000344	Pa×s	723.14	Calculated Property
η	0.0000256	Pa×s	765.12	Calculated Property
η	0.0000196	Pa×s	807.10	Calculated Property
η	0.0000155	Pa×s	849.08	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, heptadecyl 4-methylpent-2-yl ester.

Sources

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

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