Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester

InChI

InChI=1S/C14H8F4O2/c15-12-8-9(6-7-11(12)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h1-8H

InChI Key

VNEPGWDOTNGZPI-UHFFFAOYSA-N

Formula

C14H8F4O2

SMILES

O=C(Oc1ccccc1)c1ccc(C(F)(F)F)c(F)c1

Molecular Weight¹

284.21

• 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).
• 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
ΔfG°	-737.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-920.16	kJ/mol	Joback Calculated Property
ΔfusH°	27.01	kJ/mol	Joback Calculated Property
ΔvapH°	57.23	kJ/mol	Joback Calculated Property
log10WS	-4.99		Crippen Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	175.120	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1625.00; 1625.00]
Inp	1625.00		NIST
Inp	1625.00		NIST
Tboil	653.18	K	Joback Calculated Property
Tc	868.14	K	Joback Calculated Property
Tfus	402.36	K	Joback Calculated Property
Vc	0.689	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.52; 511.53]	J/mol×K	[653.18; 868.14]
Cp,gas	449.52	J/mol×K	653.18	Joback Calculated Property
Cp,gas	462.17	J/mol×K	689.01	Joback Calculated Property
Cp,gas	473.82	J/mol×K	724.83	Joback Calculated Property
Cp,gas	484.53	J/mol×K	760.66	Joback Calculated Property
Cp,gas	494.35	J/mol×K	796.49	Joback Calculated Property
Cp,gas	503.33	J/mol×K	832.31	Joback Calculated Property
Cp,gas	511.53	J/mol×K	868.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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