Chemical Properties of 2-Fluorobenzoic acid, 4-cyanophenyl ester

InChI

InChI=1S/C14H8FNO2/c15-13-4-2-1-3-12(13)14(17)18-11-7-5-10(9-16)6-8-11/h1-8H

InChI Key

UVPMWZRFROFENN-UHFFFAOYSA-N

Formula

C14H8FNO2

SMILES

N#Cc1ccc(OC(=O)c2ccccc2F)cc1

Molecular Weight¹

241.22

• 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°	-22.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-158.20	kJ/mol	Joback Calculated Property
ΔfusH°	26.69	kJ/mol	Joback Calculated Property
ΔvapH°	71.45	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	171.190	ml/mol	McGowan Calculated Property
Pc	2619.09	kPa	Joback Calculated Property
Inp	[1946.00; 1946.00]
Inp	1946.00		NIST
Inp	1946.00		NIST
Tboil	760.68	K	Joback Calculated Property
Tc	1004.63	K	Joback Calculated Property
Tfus	463.16	K	Joback Calculated Property
Vc	0.671	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.52; 490.21]	J/mol×K	[760.68; 1004.63]
Cp,gas	439.52	J/mol×K	760.68	Joback Calculated Property
Cp,gas	450.33	J/mol×K	801.34	Joback Calculated Property
Cp,gas	460.14	J/mol×K	842.00	Joback Calculated Property
Cp,gas	469.00	J/mol×K	882.66	Joback Calculated Property
Cp,gas	476.94	J/mol×K	923.31	Joback Calculated Property
Cp,gas	484.00	J/mol×K	963.97	Joback Calculated Property
Cp,gas	490.21	J/mol×K	1004.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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