Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 3-methylphenyl ester

InChI

InChI=1S/C10H9Cl3O3/c1-7-3-2-4-8(5-7)16-9(14)15-6-10(11,12)13/h2-5H,6H2,1H3

InChI Key

RAWFKHLVIXRCQN-UHFFFAOYSA-N

Formula

C10H9Cl3O3

SMILES

Cc1cccc(OC(=O)OCC(Cl)(Cl)Cl)c1

Molecular Weight¹

283.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[233.41; 466.56]	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			3.93010e+01
Coefficient B			8.43620e-01
Coefficient C			-5.11760e-04
Coefficient D			9.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.41	J/mol×K	273.00	Calculated Property
Cp,gas	277.93	J/mol×K	353.78	Calculated Property
Cp,gas	317.09	J/mol×K	434.56	Calculated Property
Cp,gas	351.20	J/mol×K	515.33	Calculated Property
Cp,gas	380.55	J/mol×K	596.11	Calculated Property
Cp,gas	405.45	J/mol×K	676.89	Calculated Property
Cp,gas	426.20	J/mol×K	757.67	Calculated Property
Cp,gas	443.10	J/mol×K	838.44	Calculated Property
Cp,gas	456.45	J/mol×K	919.22	Calculated Property
Cp,gas	466.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012771; 0.0001364]	Pa×s	[398.14; 618.33]	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			-1.29437e+01
Coefficient B			2.50051e+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.			398.14
Temperature range, max.			618.33
η	0.0012771	Pa×s	398.14	Calculated Property
η	0.0008878	Pa×s	422.61	Calculated Property
η	0.0006422	Pa×s	447.07	Calculated Property
η	0.0004805	Pa×s	471.54	Calculated Property
η	0.0003699	Pa×s	496.00	Calculated Property
η	0.0002918	Pa×s	520.47	Calculated Property
η	0.0002352	Pa×s	544.93	Calculated Property
η	0.0001931	Pa×s	569.40	Calculated Property
η	0.0001612	Pa×s	593.86	Calculated Property
η	0.0001364	Pa×s	618.33	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 3-methylphenyl 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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