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

InChI

InChI=1S/C16H19Cl3O4/c1-2-3-4-8-22-14(20)6-5-7-15(21)23-11-9-12(17)16(19)13(18)10-11/h9-10H,2-8H2,1H3

InChI Key

QXOXNTDMRFYSSS-UHFFFAOYSA-N

Formula

C16H19Cl3O4

SMILES

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

Molecular Weight¹

381.68

• 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).
• 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 Pressure, 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	[368.19; 758.17]	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			8.68270e+01
Coefficient B			1.17722e+00
Coefficient C			-5.48680e-04
Coefficient D			4.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.19	J/mol×K	273.00	Calculated Property
Cp,gas	436.52	J/mol×K	353.78	Calculated Property
Cp,gas	498.29	J/mol×K	434.56	Calculated Property
Cp,gas	553.63	J/mol×K	515.33	Calculated Property
Cp,gas	602.67	J/mol×K	596.11	Calculated Property
Cp,gas	645.55	J/mol×K	676.89	Calculated Property
Cp,gas	682.41	J/mol×K	757.67	Calculated Property
Cp,gas	713.37	J/mol×K	838.44	Calculated Property
Cp,gas	738.58	J/mol×K	919.22	Calculated Property
Cp,gas	758.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004910; 0.0000812]	Pa×s	[508.48; 732.78]	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			-1.34994e+01
Coefficient B			2.99004e+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.			508.48
Temperature range, max.			732.78
η	0.0004910	Pa×s	508.48	Calculated Property
η	0.0003730	Pa×s	533.40	Calculated Property
η	0.0002905	Pa×s	558.32	Calculated Property
η	0.0002311	Pa×s	583.25	Calculated Property
η	0.0001873	Pa×s	608.17	Calculated Property
η	0.0001543	Pa×s	633.09	Calculated Property
η	0.0001290	Pa×s	658.01	Calculated Property
η	0.0001093	Pa×s	682.93	Calculated Property
η	0.0000937	Pa×s	707.85	Calculated Property
η	0.0000812	Pa×s	732.78	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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