Chemical Properties of 4-Nitrobenzoic acid, phenyl ester

InChI

InChI=1S/C13H9NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H

InChI Key

LUSSRKMAXZEBEC-UHFFFAOYSA-N

Formula

C13H9NO4

SMILES

O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

243.21

• 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°	75.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-105.62	kJ/mol	Joback Calculated Property
ΔfusH°	31.27	kJ/mol	Joback Calculated Property
ΔvapH°	75.49	kJ/mol	Joback Calculated Property
log10WS	-4.21		Crippen Calculated Property
logPoct/wat	2.814		Crippen Calculated Property
McVol	171.370	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[2000.00; 2000.00]
Inp	2000.00		NIST
Inp	2000.00		NIST
Tboil	783.31	K	Joback Calculated Property
Tc	1050.92	K	Joback Calculated Property
Tfus	517.40	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.81; 510.75]	J/mol×K	[783.31; 1050.92]
Cp,gas	457.81	J/mol×K	783.31	Joback Calculated Property
Cp,gas	469.55	J/mol×K	827.91	Joback Calculated Property
Cp,gas	480.03	J/mol×K	872.51	Joback Calculated Property
Cp,gas	489.33	J/mol×K	917.11	Joback Calculated Property
Cp,gas	497.50	J/mol×K	961.72	Joback Calculated Property
Cp,gas	504.62	J/mol×K	1006.32	Joback Calculated Property
Cp,gas	510.75	J/mol×K	1050.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Nitrobenzoic acid, phenyl ester.

Sources

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

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