Chemical Properties of 2-Chlorobenzoic acid, 4-nitrophenyl ester

InChI

InChI=1S/C13H8ClNO4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H

InChI Key

LYQCUKYZFNQYEG-UHFFFAOYSA-N

Formula

C13H8ClNO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl

Molecular Weight¹

277.66

• 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°	53.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.83	kJ/mol	Joback Calculated Property
ΔfusH°	35.07	kJ/mol	Joback Calculated Property
ΔvapH°	80.54	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen Calculated Property
logPoct/wat	3.467		Crippen Calculated Property
McVol	183.610	ml/mol	McGowan Calculated Property
Pc	3042.32	kPa	Joback Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Tboil	825.72	K	Joback Calculated Property
Tc	1095.18	K	Joback Calculated Property
Tfus	559.84	K	Joback Calculated Property
Vc	0.703	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.52; 520.45]	J/mol×K	[825.72; 1095.18]
Cp,gas	475.52	J/mol×K	825.72	Joback Calculated Property
Cp,gas	485.78	J/mol×K	870.63	Joback Calculated Property
Cp,gas	494.85	J/mol×K	915.54	Joback Calculated Property
Cp,gas	502.79	J/mol×K	960.45	Joback Calculated Property
Cp,gas	509.67	J/mol×K	1005.36	Joback Calculated Property
Cp,gas	515.53	J/mol×K	1050.27	Joback Calculated Property
Cp,gas	520.45	J/mol×K	1095.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 4-nitrophenyl ester.

Sources

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

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