Chemical Properties of 2,3,4-Trifluorobenzoic acid, 4-cyanophenyl ester

InChI

InChI=1S/C14H6F3NO2/c15-11-6-5-10(12(16)13(11)17)14(19)20-9-3-1-8(7-18)2-4-9/h1-6H

InChI Key

YGRHCLPAJIHTDB-UHFFFAOYSA-N

Formula

C14H6F3NO2

SMILES

N#Cc1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1

Molecular Weight¹

277.20

• 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°	-431.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-573.36	kJ/mol	Joback Calculated Property
ΔfusH°	32.07	kJ/mol	Joback Calculated Property
ΔvapH°	71.14	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	3.195		Crippen Calculated Property
McVol	174.730	ml/mol	McGowan Calculated Property
Pc	2324.78	kPa	Joback Calculated Property
Inp	[1897.00; 1897.00]
Inp	1897.00		NIST
Inp	1897.00		NIST
Tboil	769.18	K	Joback Calculated Property
Tc	995.33	K	Joback Calculated Property
Tfus	489.38	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.62; 496.96]	J/mol×K	[769.18; 995.33]
Cp,gas	451.62	J/mol×K	769.18	Joback Calculated Property
Cp,gas	461.19	J/mol×K	806.87	Joback Calculated Property
Cp,gas	469.93	J/mol×K	844.56	Joback Calculated Property
Cp,gas	477.86	J/mol×K	882.25	Joback Calculated Property
Cp,gas	484.99	J/mol×K	919.95	Joback Calculated Property
Cp,gas	491.35	J/mol×K	957.64	Joback Calculated Property
Cp,gas	496.96	J/mol×K	995.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 4-cyanophenyl ester.

Sources

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

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