Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 4-chlorophenyl ester

InChI

InChI=1S/C9H6Cl4O3/c10-6-1-3-7(4-2-6)16-8(14)15-5-9(11,12)13/h1-4H,5H2

InChI Key

RETZDMQCOKIVNW-UHFFFAOYSA-N

Formula

C9H6Cl4O3

SMILES

O=C(OCC(Cl)(Cl)Cl)Oc1ccc(Cl)cc1

Molecular Weight¹

303.95

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[225.60; 423.24]	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			5.31010e+01
Coefficient B			7.55400e-01
Coefficient C			-4.77760e-04
Coefficient D			9.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.60	J/mol×K	273.00	Calculated Property
Cp,gas	264.64	J/mol×K	353.78	Calculated Property
Cp,gas	298.74	J/mol×K	434.56	Calculated Property
Cp,gas	328.17	J/mol×K	515.33	Calculated Property
Cp,gas	353.23	J/mol×K	596.11	Calculated Property
Cp,gas	374.21	J/mol×K	676.89	Calculated Property
Cp,gas	391.41	J/mol×K	757.67	Calculated Property
Cp,gas	405.12	J/mol×K	838.44	Calculated Property
Cp,gas	415.63	J/mol×K	919.22	Calculated Property
Cp,gas	423.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011311; 0.0001360]	Pa×s	[416.79; 633.96]	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			-1.29691e+01
Coefficient B			2.57767e+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.			416.79
Temperature range, max.			633.96
η	0.0011311	Pa×s	416.79	Calculated Property
η	0.0008063	Pa×s	440.92	Calculated Property
η	0.0005954	Pa×s	465.05	Calculated Property
η	0.0004529	Pa×s	489.18	Calculated Property
η	0.0003536	Pa×s	513.31	Calculated Property
η	0.0002822	Pa×s	537.44	Calculated Property
η	0.0002296	Pa×s	561.57	Calculated Property
η	0.0001901	Pa×s	585.70	Calculated Property
η	0.0001597	Pa×s	609.83	Calculated Property
η	0.0001360	Pa×s	633.96	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 4-chlorophenyl 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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