Chemical Properties of meta-«alpha»-Hydroxymononitrodiphenylacetic acid, methyl ester

InChI

InChI=1S/C15H13NO5/c1-21-14(17)15(18,11-6-3-2-4-7-11)12-8-5-9-13(10-12)16(19)20/h2-10,18H,1H3

InChI Key

WTCFQALOPNAIAP-UHFFFAOYSA-N

Formula

C15H13NO5

SMILES

COC(=O)C(O)(c1ccccc1)c1cccc([N+](=O)[O-])c1

Molecular Weight¹

287.27

Other Names

• Phenyl-3-nitrophenyl-hydroxyacetic 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°	-41.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.88	kJ/mol	Joback Calculated Property
ΔfusH°	33.12	kJ/mol	Joback Calculated Property
ΔvapH°	95.33	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.004		Crippen Calculated Property
McVol	205.420	ml/mol	McGowan Calculated Property
Pc	2947.28	kPa	Joback Calculated Property
Inp	[2220.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2220.00		NIST
Inp	2245.00		NIST
Inp	2220.00		NIST
Tboil	918.02	K	Joback Calculated Property
Tc	1166.36	K	Joback Calculated Property
Tfus	603.18	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.17; 653.83]	J/mol×K	[918.02; 1166.36]
Cp,gas	609.17	J/mol×K	918.02	Joback Calculated Property
Cp,gas	618.63	J/mol×K	959.41	Joback Calculated Property
Cp,gas	627.15	J/mol×K	1000.80	Joback Calculated Property
Cp,gas	634.83	J/mol×K	1042.19	Joback Calculated Property
Cp,gas	641.77	J/mol×K	1083.58	Joback Calculated Property
Cp,gas	648.07	J/mol×K	1124.97	Joback Calculated Property
Cp,gas	653.83	J/mol×K	1166.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to meta-«alpha»-Hydroxymononitrodiphenylacetic acid, methyl ester.

Sources

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

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