Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl isopropyl ester

InChI

InChI=1S/C6H9Cl3O3/c1-4(2)12-5(10)11-3-6(7,8)9/h4H,3H2,1-2H3

InChI Key

BXVZTZVGXVIVBP-UHFFFAOYSA-N

Formula

C6H9Cl3O3

SMILES

CC(C)OC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

235.49

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[202.95; 382.30]	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			6.08610e+01
Coefficient B			6.07940e-01
Coefficient C			-3.33200e-04
Coefficient D			4.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.95	J/mol×K	273.00	Calculated Property
Cp,gas	236.30	J/mol×K	353.78	Calculated Property
Cp,gas	265.96	J/mol×K	434.56	Calculated Property
Cp,gas	292.06	J/mol×K	515.33	Calculated Property
Cp,gas	314.75	J/mol×K	596.11	Calculated Property
Cp,gas	334.19	J/mol×K	676.89	Calculated Property
Cp,gas	350.51	J/mol×K	757.67	Calculated Property
Cp,gas	363.87	J/mol×K	838.44	Calculated Property
Cp,gas	374.42	J/mol×K	919.22	Calculated Property
Cp,gas	382.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045581; 0.0002173]	Pa×s	[299.12; 513.66]	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			-1.26773e+01
Coefficient B			2.17953e+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.			299.12
Temperature range, max.			513.66
η	0.0045581	Pa×s	299.12	Calculated Property
η	0.0026621	Pa×s	322.96	Calculated Property
η	0.0016740	Pa×s	346.79	Calculated Property
η	0.0011174	Pa×s	370.63	Calculated Property
η	0.0007832	Pa×s	394.47	Calculated Property
η	0.0005717	Pa×s	418.31	Calculated Property
η	0.0004317	Pa×s	442.14	Calculated Property
η	0.0003355	Pa×s	465.98	Calculated Property
η	0.0002672	Pa×s	489.82	Calculated Property
η	0.0002173	Pa×s	513.66	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl isopropyl 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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