Chemical Properties of 2-Trifluoromethylbenzoic acid, phenyl ester

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h1-9H

InChI Key

ZHFBGJIMMTZRIC-UHFFFAOYSA-N

Formula

C14H9F3O2

SMILES

O=C(Oc1ccccc1)c1ccccc1C(F)(F)F

Molecular Weight¹

266.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5914		Relay (1.0) Calculated Property
ΔfG°	-533.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-798.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.32	kJ/mol	Joback Calculated Property
ΔvapH°	75.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	3.925		Crippen Calculated Property
McVol	173.350	ml/mol	McGowan Calculated Property
Pc	2537.93	kPa	Joback Calculated Property
Inp	[1686.00; 1686.00]
Inp	1686.00		NIST
Inp	1686.00		NIST
Tboil	563.49	K	Relay (1.0) Calculated Property
Tc	801.90	K	Relay (1.0) Calculated Property
Tfus	303.55	K	Relay (1.0) Calculated Property
Vc	0.627	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.47; 508.07]	J/mol×K	[648.93; 872.96]
Cp,gas	442.47	J/mol×K	648.93	Joback Calculated Property
Cp,gas	455.97	J/mol×K	686.27	Joback Calculated Property
Cp,gas	468.36	J/mol×K	723.61	Joback Calculated Property
Cp,gas	479.70	J/mol×K	760.95	Joback Calculated Property
Cp,gas	490.06	J/mol×K	798.29	Joback Calculated Property
Cp,gas	499.49	J/mol×K	835.62	Joback Calculated Property
Cp,gas	508.07	J/mol×K	872.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluoromethylbenzoic acid, phenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.