Chemical Properties of bis-(4-Nitrophenyl)-hydroxyacetic acid, methyl ester

InChI

InChI=1S/C15H12N2O7/c1-24-14(18)15(19,10-2-6-12(7-3-10)16(20)21)11-4-8-13(9-5-11)17(22)23/h2-9,19H,1H3

InChI Key

NLIGJKPJSALUSB-UHFFFAOYSA-N

Formula

C15H12N2O7

SMILES

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

Molecular Weight¹

332.26

Other Names

• para,para'-«alpha»-Hydroxydinitrodiphenylacetic acid, methyl ester

• 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°	-15.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.11	kJ/mol	Joback Calculated Property
ΔfusH°	44.09	kJ/mol	Joback Calculated Property
ΔvapH°	112.58	kJ/mol	Joback Calculated Property
log10WS	-4.01		Crippen Calculated Property
logPoct/wat	1.912		Crippen Calculated Property
McVol	222.840	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[2732.00; 2750.00]
Inp	2732.00		NIST
Inp	2732.00		NIST
Inp	2750.00		NIST
Inp	2750.00		NIST
Inp	2732.00		NIST
Tboil	1074.84	K	Joback Calculated Property
Tc	1340.57	K	Joback Calculated Property
Tfus	759.31	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.54; 714.85]	J/mol×K	[1074.84; 1340.57]
Cp,gas	683.54	J/mol×K	1074.84	Joback Calculated Property
Cp,gas	690.24	J/mol×K	1119.13	Joback Calculated Property
Cp,gas	696.19	J/mol×K	1163.42	Joback Calculated Property
Cp,gas	701.51	J/mol×K	1207.71	Joback Calculated Property
Cp,gas	706.32	J/mol×K	1252.00	Joback Calculated Property
Cp,gas	710.72	J/mol×K	1296.29	Joback Calculated Property
Cp,gas	714.85	J/mol×K	1340.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to bis-(4-Nitrophenyl)-hydroxyacetic acid, methyl ester.

Sources

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

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