Chemical Properties of 4-Nitrobenzoic acid, 3,5-difluorophenyl ester

InChI

InChI=1S/C13H7F2NO4/c14-9-5-10(15)7-12(6-9)20-13(17)8-1-3-11(4-2-8)16(18)19/h1-7H

InChI Key

LFNBCQXTBZLVHL-UHFFFAOYSA-N

Formula

C13H7F2NO4

SMILES

O=C(Oc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

279.20

• 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°	-333.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.78	kJ/mol	Joback Calculated Property
ΔfusH°	36.65	kJ/mol	Joback Calculated Property
ΔvapH°	75.18	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	3.092		Crippen Calculated Property
McVol	174.910	ml/mol	McGowan Calculated Property
Pc	2826.33	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	791.81	K	Joback Calculated Property
Tc	1038.35	K	Joback Calculated Property
Tfus	543.62	K	Joback Calculated Property
Vc	0.690	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.72; 516.82]	J/mol×K	[791.81; 1038.35]
Cp,gas	469.72	J/mol×K	791.81	Joback Calculated Property
Cp,gas	480.06	J/mol×K	832.90	Joback Calculated Property
Cp,gas	489.35	J/mol×K	873.99	Joback Calculated Property
Cp,gas	497.64	J/mol×K	915.08	Joback Calculated Property
Cp,gas	504.96	J/mol×K	956.17	Joback Calculated Property
Cp,gas	511.34	J/mol×K	997.26	Joback Calculated Property
Cp,gas	516.82	J/mol×K	1038.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Nitrobenzoic acid, 3,5-difluorophenyl ester.

Sources

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

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