Chemical Properties of 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester

InChI

InChI=1S/C14H7FN2O4/c15-11-5-6-12(17(19)20)13(7-11)21-14(18)10-3-1-9(8-16)2-4-10/h1-7H

InChI Key

VQTYKYJPTZOPLV-UHFFFAOYSA-N

Formula

C14H7FN2O4

SMILES

N#Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1

Molecular Weight¹

286.21

• 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°	2.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-180.43	kJ/mol	Joback Calculated Property
ΔfusH°	37.66	kJ/mol	Joback Calculated Property
ΔvapH°	88.70	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen Calculated Property
logPoct/wat	2.825		Crippen Calculated Property
McVol	188.610	ml/mol	McGowan Calculated Property
Pc	2611.07	kPa	Joback Calculated Property
Inp	[2247.70; 2247.70]
Inp	2247.70		NIST
Inp	2247.70		NIST
Tboil	917.50	K	Joback Calculated Property
Tc	1177.77	K	Joback Calculated Property
Tfus	619.29	K	Joback Calculated Property
Vc	0.753	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.72; 550.71]	J/mol×K	[917.50; 1177.77]
Cp,gas	518.72	J/mol×K	917.50	Joback Calculated Property
Cp,gas	526.57	J/mol×K	960.88	Joback Calculated Property
Cp,gas	533.35	J/mol×K	1004.26	Joback Calculated Property
Cp,gas	539.11	J/mol×K	1047.63	Joback Calculated Property
Cp,gas	543.90	J/mol×K	1091.01	Joback Calculated Property
Cp,gas	547.75	J/mol×K	1134.39	Joback Calculated Property
Cp,gas	550.71	J/mol×K	1177.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester.

Sources

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

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