Chemical Properties of Adipic acid, 8-chloroctyl hexadecyl ester

InChI

InChI=1S/C30H57ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-27-34-29(32)24-19-20-25-30(33)35-28-23-18-15-13-16-21-26-31/h2-28H2,1H3

InChI Key

MGYTWPAMDKJXLU-UHFFFAOYSA-N

Formula

C30H57ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCl

Molecular Weight¹

517.23

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[687.97; 1591.55]	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			3.93270e+01
Coefficient B			2.75102e+00
Coefficient C			-1.43940e-03
Coefficient D			2.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	687.97	J/mol×K	273.00	Calculated Property
Cp,gas	843.08	J/mol×K	353.78	Calculated Property
Cp,gas	982.73	J/mol×K	434.56	Calculated Property
Cp,gas	1107.69	J/mol×K	515.33	Calculated Property
Cp,gas	1218.72	J/mol×K	596.11	Calculated Property
Cp,gas	1316.58	J/mol×K	676.89	Calculated Property
Cp,gas	1402.03	J/mol×K	757.67	Calculated Property
Cp,gas	1475.84	J/mol×K	838.44	Calculated Property
Cp,gas	1538.75	J/mol×K	919.22	Calculated Property
Cp,gas	1591.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002590; 0.0000120]	Pa×s	[542.44; 915.93]	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			-1.57915e+01
Coefficient B			4.08600e+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.			542.44
Temperature range, max.			915.93
η	0.0002590	Pa×s	542.44	Calculated Property
η	0.0001516	Pa×s	583.94	Calculated Property
η	0.0000953	Pa×s	625.44	Calculated Property
η	0.0000635	Pa×s	666.94	Calculated Property
η	0.0000443	Pa×s	708.43	Calculated Property
η	0.0000322	Pa×s	749.93	Calculated Property
η	0.0000242	Pa×s	791.43	Calculated Property
η	0.0000187	Pa×s	832.93	Calculated Property
η	0.0000148	Pa×s	874.43	Calculated Property
η	0.0000120	Pa×s	915.93	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 8-chloroctyl hexadecyl ester.

Sources

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

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