Chemical Properties of 3-Fluorobenzoic acid, 4-nitrophenyl ester

InChI

InChI=1S/C13H8FNO4/c14-10-3-1-2-9(8-10)13(16)19-12-6-4-11(5-7-12)15(17)18/h1-8H

InChI Key

SUBDOSZYYCCUGC-UHFFFAOYSA-N

Formula

C13H8FNO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1

Molecular Weight¹

261.21

• 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°	-129.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-313.20	kJ/mol	Joback Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	75.34	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	2.953		Crippen Calculated Property
McVol	173.140	ml/mol	McGowan Calculated Property
Pc	3015.64	kPa	Joback Calculated Property
Inp	[2029.00; 2029.00]
Inp	2029.00		NIST
Inp	2029.00		NIST
Tboil	787.56	K	Joback Calculated Property
Tc	1044.15	K	Joback Calculated Property
Tfus	530.51	K	Joback Calculated Property
Vc	0.671	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.79; 513.70]	J/mol×K	[787.56; 1044.15]
Cp,gas	463.79	J/mol×K	787.56	Joback Calculated Property
Cp,gas	474.79	J/mol×K	830.33	Joback Calculated Property
Cp,gas	484.66	J/mol×K	873.09	Joback Calculated Property
Cp,gas	493.43	J/mol×K	915.86	Joback Calculated Property
Cp,gas	501.16	J/mol×K	958.62	Joback Calculated Property
Cp,gas	507.90	J/mol×K	1001.39	Joback Calculated Property
Cp,gas	513.70	J/mol×K	1044.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 4-nitrophenyl ester.

Sources

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

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