Chemical Properties of 4-Nitrobenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H7Cl2NO4/c14-11-6-5-10(7-12(11)15)20-13(17)8-1-3-9(4-2-8)16(18)19/h1-7H

InChI Key

LXEDUJYAENAZGC-UHFFFAOYSA-N

Formula

C13H7Cl2NO4

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

312.11

• 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°	32.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-160.04	kJ/mol	Joback Calculated Property
ΔfusH°	38.88	kJ/mol	Joback Calculated Property
ΔvapH°	85.59	kJ/mol	Joback Calculated Property
log10WS	-5.58		Crippen Calculated Property
logPoct/wat	4.121		Crippen Calculated Property
McVol	195.850	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST
Tboil	868.13	K	Joback Calculated Property
Tc	1139.27	K	Joback Calculated Property
Tfus	602.28	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.43; 528.58]	J/mol×K	[868.13; 1139.27]
Cp,gas	491.43	J/mol×K	868.13	Joback Calculated Property
Cp,gas	500.28	J/mol×K	913.32	Joback Calculated Property
Cp,gas	508.00	J/mol×K	958.51	Joback Calculated Property
Cp,gas	514.63	J/mol×K	1003.70	Joback Calculated Property
Cp,gas	520.24	J/mol×K	1048.89	Joback Calculated Property
Cp,gas	524.88	J/mol×K	1094.08	Joback Calculated Property
Cp,gas	528.58	J/mol×K	1139.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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