Chemical Properties of Adipic acid, pentyl 3,4,5-trichlorophenyl ester

InChI

InChI=1S/C17H21Cl3O4/c1-2-3-6-9-23-15(21)7-4-5-8-16(22)24-12-10-13(18)17(20)14(19)11-12/h10-11H,2-9H2,1H3

InChI Key

ONMLPCQHQDTDDP-UHFFFAOYSA-N

Formula

C17H21Cl3O4

SMILES

CCCCCOC(=O)CCCCC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1

Molecular Weight¹

395.70

• 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	[389.40; 809.76]	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			8.59180e+01
Coefficient B			1.27222e+00
Coefficient C			-6.03080e-04
Coefficient D			5.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.40	J/mol×K	273.00	Calculated Property
Cp,gas	462.94	J/mol×K	353.78	Calculated Property
Cp,gas	529.37	J/mol×K	434.56	Calculated Property
Cp,gas	588.86	J/mol×K	515.33	Calculated Property
Cp,gas	641.59	J/mol×K	596.11	Calculated Property
Cp,gas	687.72	J/mol×K	676.89	Calculated Property
Cp,gas	727.42	J/mol×K	757.67	Calculated Property
Cp,gas	760.89	J/mol×K	838.44	Calculated Property
Cp,gas	788.27	J/mol×K	919.22	Calculated Property
Cp,gas	809.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004402; 0.0000718]	Pa×s	[519.75; 748.39]	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			-1.36623e+01
Coefficient B			3.08420e+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.			519.75
Temperature range, max.			748.39
η	0.0004402	Pa×s	519.75	Calculated Property
η	0.0003338	Pa×s	545.15	Calculated Property
η	0.0002595	Pa×s	570.56	Calculated Property
η	0.0002061	Pa×s	595.96	Calculated Property
η	0.0001668	Pa×s	621.37	Calculated Property
η	0.0001372	Pa×s	646.77	Calculated Property
η	0.0001146	Pa×s	672.18	Calculated Property
η	0.0000970	Pa×s	697.58	Calculated Property
η	0.0000830	Pa×s	722.99	Calculated Property
η	0.0000718	Pa×s	748.39	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, pentyl 3,4,5-trichlorophenyl ester.

Sources

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

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