Chemical Properties of Cyclohexanecarboxylic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H13Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h7H,1-6H2

InChI Key

LDNCHQISWJTDHK-UHFFFAOYSA-N

Formula

C9H13Cl3O2

SMILES

O=C(OCC(Cl)(Cl)Cl)C1CCCCC1

Molecular Weight¹

259.56

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	20.45	kJ/mol	Joback Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	170.970	ml/mol	McGowan Calculated Property
Inp	[1563.00; 1563.00]
Inp	1563.00		NIST
Inp	1563.00		NIST
Tboil	546.77	K	Relay (1.0) Calculated Property

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	[213.38; 503.11]	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			-3.12890e+01
Coefficient B			1.07230e+00
Coefficient C			-6.85200e-04
Coefficient D			1.47300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.38	J/mol×K	273.00	Calculated Property
Cp,gas	268.83	J/mol×K	353.78	Calculated Property
Cp,gas	317.38	J/mol×K	434.56	Calculated Property
Cp,gas	359.49	J/mol×K	515.33	Calculated Property
Cp,gas	395.64	J/mol×K	596.11	Calculated Property
Cp,gas	426.28	J/mol×K	676.89	Calculated Property
Cp,gas	451.88	J/mol×K	757.67	Calculated Property
Cp,gas	472.91	J/mol×K	838.44	Calculated Property
Cp,gas	489.83	J/mol×K	919.22	Calculated Property
Cp,gas	503.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045285; 0.0002069]	Pa×s	[333.08; 577.89]	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			-1.26820e+01
Coefficient B			2.42637e+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.			333.08
Temperature range, max.			577.89
η	0.0045285	Pa×s	333.08	Calculated Property
η	0.0026128	Pa×s	360.28	Calculated Property
η	0.0016285	Pa×s	387.48	Calculated Property
η	0.0010799	Pa×s	414.68	Calculated Property
η	0.0007533	Pa×s	441.88	Calculated Property
η	0.0005479	Pa×s	469.08	Calculated Property
η	0.0004126	Pa×s	496.29	Calculated Property
η	0.0003201	Pa×s	523.49	Calculated Property
η	0.0002546	Pa×s	550.69	Calculated Property
η	0.0002069	Pa×s	577.89	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 2,2,2-trichloroethyl 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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