Chemical Properties of Adipic acid, 8-chloroctyl tetradecyl ester

InChI

InChI=1S/C28H53ClO4/c1-2-3-4-5-6-7-8-9-10-12-15-20-25-32-27(30)22-17-18-23-28(31)33-26-21-16-13-11-14-19-24-29/h2-26H2,1H3

InChI Key

NECYQUIQLJYGQL-UHFFFAOYSA-N

Formula

C28H53ClO4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCl

Molecular Weight¹

489.17

• 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).
• 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

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	[645.55; 1488.37]	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			4.11450e+01
Coefficient B			2.56102e+00
Coefficient C			-1.33060e-03
Coefficient D			2.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	645.55	J/mol×K	273.00	Calculated Property
Cp,gas	790.24	J/mol×K	353.78	Calculated Property
Cp,gas	920.57	J/mol×K	434.56	Calculated Property
Cp,gas	1037.23	J/mol×K	515.33	Calculated Property
Cp,gas	1140.89	J/mol×K	596.11	Calculated Property
Cp,gas	1232.26	J/mol×K	676.89	Calculated Property
Cp,gas	1312.00	J/mol×K	757.67	Calculated Property
Cp,gas	1380.81	J/mol×K	838.44	Calculated Property
Cp,gas	1439.37	J/mol×K	919.22	Calculated Property
Cp,gas	1488.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003519; 0.0000177]	Pa×s	[519.90; 864.95]	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			-1.54493e+01
Coefficient B			3.89768e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			519.90
Temperature range, max.			864.95
η	0.0003519	Pa×s	519.90	Calculated Property
η	0.0002103	Pa×s	558.24	Calculated Property
η	0.0001342	Pa×s	596.58	Calculated Property
η	0.0000905	Pa×s	634.92	Calculated Property
η	0.0000638	Pa×s	673.26	Calculated Property
η	0.0000467	Pa×s	711.59	Calculated Property
η	0.0000353	Pa×s	749.93	Calculated Property
η	0.0000274	Pa×s	788.27	Calculated Property
η	0.0000218	Pa×s	826.61	Calculated Property
η	0.0000177	Pa×s	864.95	Calculated Property

Similar Compounds

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

Sources

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

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