Chemical Properties of 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester

InChI

InChI=1S/C13H6F3NO4/c14-7-1-3-10(16)9(5-7)13(18)21-12-6-8(15)2-4-11(12)17(19)20/h1-6H

InChI Key

TXOSMCODEHGHPJ-UHFFFAOYSA-N

Formula

C13H6F3NO4

SMILES

O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cc(F)ccc1F

Molecular Weight¹

297.19

• 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°	-537.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-728.36	kJ/mol	Joback Calculated Property
ΔfusH°	39.34	kJ/mol	Joback Calculated Property
ΔvapH°	75.03	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	3.231		Crippen Calculated Property
McVol	176.680	ml/mol	McGowan Calculated Property
Pc	2654.29	kPa	Joback Calculated Property
Inp	[1958.00; 1958.00]
Inp	1958.00		NIST
Inp	1958.00		NIST
Tboil	796.06	K	Joback Calculated Property
Tc	1033.47	K	Joback Calculated Property
Tfus	556.73	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.61; 520.09]	J/mol×K	[796.06; 1033.47]
Cp,gas	475.61	J/mol×K	796.06	Joback Calculated Property
Cp,gas	485.34	J/mol×K	835.63	Joback Calculated Property
Cp,gas	494.10	J/mol×K	875.20	Joback Calculated Property
Cp,gas	501.94	J/mol×K	914.76	Joback Calculated Property
Cp,gas	508.86	J/mol×K	954.33	Joback Calculated Property
Cp,gas	514.91	J/mol×K	993.90	Joback Calculated Property
Cp,gas	520.09	J/mol×K	1033.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester.

Sources

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

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