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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.08; 469.84]	J/mol×K	[592.35; 825.55]
Cp,gas	394.08	J/mol×K	592.35	Joback Calculated Property
Cp,gas	409.60	J/mol×K	631.22	Joback Calculated Property
Cp,gas	423.90	J/mol×K	670.08	Joback Calculated Property
Cp,gas	437.02	J/mol×K	708.95	Joback Calculated Property
Cp,gas	449.01	J/mol×K	747.82	Joback Calculated Property
Cp,gas	459.94	J/mol×K	786.69	Joback Calculated Property
Cp,gas	469.84	J/mol×K	825.55	Joback Calculated Property
η	[0.0001867; 0.0045285]	Pa×s	[333.08; 592.35]
η	0.0045285	Pa×s	333.08	Joback Calculated Property
η	0.0019618	Pa×s	376.29	Joback Calculated Property
η	0.0010097	Pa×s	419.50	Joback Calculated Property
η	0.0005883	Pa×s	462.71	Joback Calculated Property
η	0.0003759	Pa×s	505.93	Joback Calculated Property
η	0.0002578	Pa×s	549.14	Joback Calculated Property
η	0.0001867	Pa×s	592.35	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.