Chemical Properties of 5-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C14H7ClF4O2/c15-8-1-4-10(5-2-8)21-13(20)11-7-9(16)3-6-12(11)14(17,18)19/h1-7H

InChI Key

OUJVSXJZSFEEBQ-UHFFFAOYSA-N

Formula

C14H7ClF4O2

SMILES

O=C(Oc1ccc(Cl)cc1)c1cc(F)ccc1C(F)(F)F

Molecular Weight¹

318.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	30.82	kJ/mol	Joback Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
logPoct/wat	4.717		Crippen Calculated Property
McVol	187.360	ml/mol	McGowan Calculated Property
Inp	[1780.00; 1780.00]
Inp	1780.00		NIST
Inp	1780.00		NIST

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, 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	[472.13; 526.90]	J/mol×K	[695.59; 914.60]
Cp,gas	472.13	J/mol×K	695.59	Joback Calculated Property
Cp,gas	483.43	J/mol×K	732.09	Joback Calculated Property
Cp,gas	493.80	J/mol×K	768.59	Joback Calculated Property
Cp,gas	503.28	J/mol×K	805.09	Joback Calculated Property
Cp,gas	511.92	J/mol×K	841.59	Joback Calculated Property
Cp,gas	519.78	J/mol×K	878.10	Joback Calculated Property
Cp,gas	526.90	J/mol×K	914.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl 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.
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