Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 3,5-dimethylphenyl ester

InChI

InChI=1S/C11H11Cl3O3/c1-7-3-8(2)5-9(4-7)17-10(15)16-6-11(12,13)14/h3-5H,6H2,1-2H3

InChI Key

FULSZXNBYPXZFY-UHFFFAOYSA-N

Formula

C11H11Cl3O3

SMILES

Cc1cc(C)cc(OC(=O)OCC(Cl)(Cl)Cl)c1

Molecular Weight¹

297.56

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[257.17; 515.11]	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			5.26910e+01
Coefficient B			8.79140e-01
Coefficient C			-4.99120e-04
Coefficient D			8.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.17	J/mol×K	273.00	Calculated Property
Cp,gas	304.89	J/mol×K	353.78	Calculated Property
Cp,gas	347.23	J/mol×K	434.56	Calculated Property
Cp,gas	384.47	J/mol×K	515.33	Calculated Property
Cp,gas	416.85	J/mol×K	596.11	Calculated Property
Cp,gas	444.64	J/mol×K	676.89	Calculated Property
Cp,gas	468.10	J/mol×K	757.67	Calculated Property
Cp,gas	487.49	J/mol×K	838.44	Calculated Property
Cp,gas	503.08	J/mol×K	919.22	Calculated Property
Cp,gas	515.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009375; 0.0001238]	Pa×s	[421.93; 635.25]	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			-1.30004e+01
Coefficient B			2.54341e+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.			421.93
Temperature range, max.			635.25
η	0.0009375	Pa×s	421.93	Calculated Property
η	0.0006803	Pa×s	445.63	Calculated Property
η	0.0005100	Pa×s	469.33	Calculated Property
η	0.0003930	Pa×s	493.04	Calculated Property
η	0.0003102	Pa×s	516.74	Calculated Property
η	0.0002500	Pa×s	540.44	Calculated Property
η	0.0002051	Pa×s	564.14	Calculated Property
η	0.0001710	Pa×s	587.85	Calculated Property
η	0.0001446	Pa×s	611.55	Calculated Property
η	0.0001238	Pa×s	635.25	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 3,5-dimethylphenyl 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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