Chemical Properties of Adipic acid, 8-chloroctyl octadecyl ester

InChI

InChI=1S/C32H61ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-29-36-31(34)26-21-22-27-32(35)37-30-25-20-17-15-18-23-28-33/h2-30H2,1H3

InChI Key

RZNCOYBKFZZEGV-UHFFFAOYSA-N

Formula

C32H61ClO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCl

Molecular Weight¹

545.29

• 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	[730.40; 1694.73]	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			3.75090e+01
Coefficient B			2.94102e+00
Coefficient C			-1.54820e-03
Coefficient D			2.64400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	730.40	J/mol×K	273.00	Calculated Property
Cp,gas	895.91	J/mol×K	353.78	Calculated Property
Cp,gas	1044.88	J/mol×K	434.56	Calculated Property
Cp,gas	1178.15	J/mol×K	515.33	Calculated Property
Cp,gas	1296.54	J/mol×K	596.11	Calculated Property
Cp,gas	1400.90	J/mol×K	676.89	Calculated Property
Cp,gas	1492.06	J/mol×K	757.67	Calculated Property
Cp,gas	1570.87	J/mol×K	838.44	Calculated Property
Cp,gas	1638.14	J/mol×K	919.22	Calculated Property
Cp,gas	1694.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001895; 0.0000080]	Pa×s	[564.98; 971.72]	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			-1.61367e+01
Coefficient B			4.27432e+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.			564.98
Temperature range, max.			971.72
η	0.0001895	Pa×s	564.98	Calculated Property
η	0.0001082	Pa×s	610.17	Calculated Property
η	0.0000667	Pa×s	655.37	Calculated Property
η	0.0000438	Pa×s	700.56	Calculated Property
η	0.0000303	Pa×s	745.75	Calculated Property
η	0.0000218	Pa×s	790.94	Calculated Property
η	0.0000163	Pa×s	836.14	Calculated Property
η	0.0000125	Pa×s	881.33	Calculated Property
η	0.0000099	Pa×s	926.52	Calculated Property
η	0.0000080	Pa×s	971.72	Calculated Property

Similar Compounds

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

Sources

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

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