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

InChI

InChI=1S/C8H13Cl3O3/c1-3-4-6(2)14-7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3

InChI Key

QHFGYKUQJJHXDS-UHFFFAOYSA-N

Formula

C8H13Cl3O3

SMILES

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

Molecular Weight¹

263.55

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[245.37; 485.48]	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			5.90430e+01
Coefficient B			7.97940e-01
Coefficient C			-4.42000e-04
Coefficient D			7.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.37	J/mol×K	273.00	Calculated Property
Cp,gas	289.14	J/mol×K	353.78	Calculated Property
Cp,gas	328.11	J/mol×K	434.56	Calculated Property
Cp,gas	362.52	J/mol×K	515.33	Calculated Property
Cp,gas	392.57	J/mol×K	596.11	Calculated Property
Cp,gas	418.51	J/mol×K	676.89	Calculated Property
Cp,gas	440.55	J/mol×K	757.67	Calculated Property
Cp,gas	458.90	J/mol×K	838.44	Calculated Property
Cp,gas	473.81	J/mol×K	919.22	Calculated Property
Cp,gas	485.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036926; 0.0001861]	Pa×s	[321.66; 541.38]	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			-1.29628e+01
Coefficient B			2.36785e+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.			321.66
Temperature range, max.			541.38
η	0.0036926	Pa×s	321.66	Calculated Property
η	0.0021969	Pa×s	346.07	Calculated Property
η	0.0013996	Pa×s	370.49	Calculated Property
η	0.0009428	Pa×s	394.90	Calculated Property
η	0.0006650	Pa×s	419.31	Calculated Property
η	0.0004874	Pa×s	443.72	Calculated Property
η	0.0003690	Pa×s	468.14	Calculated Property
η	0.0002872	Pa×s	492.55	Calculated Property
η	0.0002288	Pa×s	516.96	Calculated Property
η	0.0001861	Pa×s	541.38	Calculated Property

Similar Compounds

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