Chemical Properties of Glutaric acid, ethyl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C13H13Cl3O4/c1-2-19-12(17)4-3-5-13(18)20-11-7-9(15)8(14)6-10(11)16/h6-7H,2-5H2,1H3

InChI Key

LXXONXBNPMZOTB-UHFFFAOYSA-N

Formula

C13H13Cl3O4

SMILES

CCOC(=O)CCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

339.60

• 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).
• 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, 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	[304.55; 603.39]	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			8.95540e+01
Coefficient B			8.92220e-01
Coefficient C			-3.85480e-04
Coefficient D			7.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.55	J/mol×K	273.00	Calculated Property
Cp,gas	357.27	J/mol×K	353.78	Calculated Property
Cp,gas	405.06	J/mol×K	434.56	Calculated Property
Cp,gas	447.95	J/mol×K	515.33	Calculated Property
Cp,gas	485.94	J/mol×K	596.11	Calculated Property
Cp,gas	519.07	J/mol×K	676.89	Calculated Property
Cp,gas	547.36	J/mol×K	757.67	Calculated Property
Cp,gas	570.83	J/mol×K	838.44	Calculated Property
Cp,gas	589.50	J/mol×K	919.22	Calculated Property
Cp,gas	603.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006654; 0.0001131]	Pa×s	[474.67; 688.57]	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			-1.30192e+01
Coefficient B			2.70756e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			474.67
Temperature range, max.			688.57
η	0.0006654	Pa×s	474.67	Calculated Property
η	0.0005069	Pa×s	498.44	Calculated Property
η	0.0003959	Pa×s	522.20	Calculated Property
η	0.0003159	Pa×s	545.97	Calculated Property
η	0.0002569	Pa×s	569.73	Calculated Property
η	0.0002124	Pa×s	593.50	Calculated Property
η	0.0001782	Pa×s	617.27	Calculated Property
η	0.0001514	Pa×s	641.03	Calculated Property
η	0.0001302	Pa×s	664.80	Calculated Property
η	0.0001131	Pa×s	688.57	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 2,4,5-trichlorophenyl ester.

Sources

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

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