Chemical Properties of Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester

InChI

InChI=1S/C14H10ClNO4/c15-12-7-6-10(8-13(12)16(18)19)9-20-14(17)11-4-2-1-3-5-11/h1-8H,9H2

InChI Key

PKYSTVRAGCEVSB-UHFFFAOYSA-N

Formula

C14H10ClNO4

SMILES

O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1

Molecular Weight¹

291.69

• 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°	62.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.47	kJ/mol	Joback Calculated Property
ΔfusH°	37.66	kJ/mol	Joback Calculated Property
ΔvapH°	82.77	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	3.605		Crippen Calculated Property
McVol	197.700	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[2442.00; 2442.00]
Inp	2442.00		NIST
Inp	2442.00		NIST
Tboil	848.60	K	Joback Calculated Property
Tc	1112.08	K	Joback Calculated Property
Tfus	571.11	K	Joback Calculated Property
Vc	0.758	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.71; 575.89]	J/mol×K	[848.60; 1112.08]
Cp,gas	528.71	J/mol×K	848.60	Joback Calculated Property
Cp,gas	539.35	J/mol×K	892.51	Joback Calculated Property
Cp,gas	548.80	J/mol×K	936.43	Joback Calculated Property
Cp,gas	557.12	J/mol×K	980.34	Joback Calculated Property
Cp,gas	564.36	J/mol×K	1024.25	Joback Calculated Property
Cp,gas	570.60	J/mol×K	1068.17	Joback Calculated Property
Cp,gas	575.89	J/mol×K	1112.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester.

Sources

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

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