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

InChI

InChI=1S/C10H15Cl3O3/c11-10(12,13)7-16-9(14)15-6-8-4-2-1-3-5-8/h8H,1-7H2

InChI Key

XMERHXQQEIBUTR-UHFFFAOYSA-N

Formula

C10H15Cl3O3

SMILES

O=C(OCC1CCCCC1)OCC(Cl)(Cl)Cl

Molecular Weight¹

289.58

• 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	[250.00; 573.20]	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			-6.69800e+00
Coefficient B			1.10410e+00
Coefficient C			-6.28600e-04
Coefficient D			1.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.00	J/mol×K	273.00	Calculated Property
Cp,gas	309.86	J/mol×K	353.78	Calculated Property
Cp,gas	362.96	J/mol×K	434.56	Calculated Property
Cp,gas	409.63	J/mol×K	515.33	Calculated Property
Cp,gas	450.21	J/mol×K	596.11	Calculated Property
Cp,gas	485.02	J/mol×K	676.89	Calculated Property
Cp,gas	514.40	J/mol×K	757.67	Calculated Property
Cp,gas	538.66	J/mol×K	838.44	Calculated Property
Cp,gas	558.16	J/mol×K	919.22	Calculated Property
Cp,gas	573.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026092; 0.0001532]	Pa×s	[366.58; 604.21]	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			-1.31575e+01
Coefficient B			2.64262e+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.			366.58
Temperature range, max.			604.21
η	0.0026092	Pa×s	366.58	Calculated Property
η	0.0016076	Pa×s	392.98	Calculated Property
η	0.0010527	Pa×s	419.39	Calculated Property
η	0.0007248	Pa×s	445.79	Calculated Property
η	0.0005203	Pa×s	472.19	Calculated Property
η	0.0003869	Pa×s	498.60	Calculated Property
η	0.0002963	Pa×s	525.00	Calculated Property
η	0.0002329	Pa×s	551.40	Calculated Property
η	0.0001871	Pa×s	577.81	Calculated Property
η	0.0001532	Pa×s	604.21	Calculated Property

Similar Compounds

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