Chemical Properties of Adipic acid, 8-chloroctyl heptadecyl ester

InChI

InChI=1S/C31H59ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23-28-35-30(33)25-20-21-26-31(34)36-29-24-19-16-14-17-22-27-32/h2-29H2,1H3

InChI Key

APFJXSZJOKTTKO-UHFFFAOYSA-N

Formula

C31H59ClO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCl

Molecular Weight¹

531.26

• 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	[709.19; 1643.14]	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			3.84180e+01
Coefficient B			2.84602e+00
Coefficient C			-1.49380e-03
Coefficient D			2.52500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	709.19	J/mol×K	273.00	Calculated Property
Cp,gas	869.49	J/mol×K	353.78	Calculated Property
Cp,gas	1013.81	J/mol×K	434.56	Calculated Property
Cp,gas	1142.92	J/mol×K	515.33	Calculated Property
Cp,gas	1257.63	J/mol×K	596.11	Calculated Property
Cp,gas	1358.74	J/mol×K	676.89	Calculated Property
Cp,gas	1447.05	J/mol×K	757.67	Calculated Property
Cp,gas	1523.35	J/mol×K	838.44	Calculated Property
Cp,gas	1588.45	J/mol×K	919.22	Calculated Property
Cp,gas	1643.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002217; 0.0000098]	Pa×s	[553.71; 943.17]	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			-1.59637e+01
Coefficient B			4.18016e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			553.71
Temperature range, max.			943.17
η	0.0002217	Pa×s	553.71	Calculated Property
η	0.0001282	Pa×s	596.98	Calculated Property
η	0.0000799	Pa×s	640.26	Calculated Property
η	0.0000528	Pa×s	683.53	Calculated Property
η	0.0000367	Pa×s	726.80	Calculated Property
η	0.0000266	Pa×s	770.08	Calculated Property
η	0.0000199	Pa×s	813.35	Calculated Property
η	0.0000154	Pa×s	856.62	Calculated Property
η	0.0000121	Pa×s	899.90	Calculated Property
η	0.0000098	Pa×s	943.17	Calculated Property

Similar Compounds

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

Sources

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

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