Chemical Properties of 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H6Cl3FO2/c10-9(11,12)5-15-8(14)6-2-1-3-7(13)4-6/h1-4H,5H2

InChI Key

SCVBNVMGLBENQO-UHFFFAOYSA-N

Formula

C9H6Cl3FO2

SMILES

O=C(OCC(Cl)(Cl)Cl)c1cccc(F)c1

Molecular Weight¹

271.50

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.76	kJ/mol	Joback Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	159.840	ml/mol	McGowan Calculated Property
Inp	[1571.00; 1571.00]
Inp	1571.00		NIST
Inp	1571.00		NIST
Tboil	545.63	K	Relay (1.0) Calculated Property
Tfus	344.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[338.14; 385.06]	J/mol×K	[621.60; 853.91]
Cp,gas	338.14	J/mol×K	621.60	Joback Calculated Property
Cp,gas	347.88	J/mol×K	660.32	Joback Calculated Property
Cp,gas	356.79	J/mol×K	699.04	Joback Calculated Property
Cp,gas	364.92	J/mol×K	737.76	Joback Calculated Property
Cp,gas	372.31	J/mol×K	776.48	Joback Calculated Property
Cp,gas	379.00	J/mol×K	815.19	Joback Calculated Property
Cp,gas	385.06	J/mol×K	853.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic 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.
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