Chemical Properties of Glutaric acid, butyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C11H17Cl3O4/c1-2-3-7-17-9(15)5-4-6-10(16)18-8-11(12,13)14/h2-8H2,1H3

InChI Key

KYTFMEALQYBXSK-UHFFFAOYSA-N

Formula

C11H17Cl3O4

SMILES

CCCCOC(=O)CCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

319.61

• 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).
• 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 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	[310.26; 629.33]	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			5.79070e+01
Coefficient B			1.08542e+00
Coefficient C			-6.18400e-04
Coefficient D			1.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.26	J/mol×K	273.00	Calculated Property
Cp,gas	369.13	J/mol×K	353.78	Calculated Property
Cp,gas	421.37	J/mol×K	434.56	Calculated Property
Cp,gas	467.32	J/mol×K	515.33	Calculated Property
Cp,gas	507.31	J/mol×K	596.11	Calculated Property
Cp,gas	541.66	J/mol×K	676.89	Calculated Property
Cp,gas	570.70	J/mol×K	757.67	Calculated Property
Cp,gas	594.78	J/mol×K	838.44	Calculated Property
Cp,gas	614.21	J/mol×K	919.22	Calculated Property
Cp,gas	629.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019504; 0.0001370]	Pa×s	[390.57; 610.40]	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			-1.36139e+01
Coefficient B			2.88014e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			390.57
Temperature range, max.			610.40
η	0.0019504	Pa×s	390.57	Calculated Property
η	0.0012637	Pa×s	415.00	Calculated Property
η	0.0008592	Pa×s	439.42	Calculated Property
η	0.0006084	Pa×s	463.85	Calculated Property
η	0.0004460	Pa×s	488.27	Calculated Property
η	0.0003367	Pa×s	512.70	Calculated Property
η	0.0002608	Pa×s	537.12	Calculated Property
η	0.0002065	Pa×s	561.55	Calculated Property
η	0.0001668	Pa×s	585.97	Calculated Property
η	0.0001370	Pa×s	610.40	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2,2,2-trichloroethyl ester.

Sources

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

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