Chemical Properties of 2-Nitrophenyl-3-nitrophenyl-hydroxyacetic acid, methyl ester

InChI

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

InChI Key

VXUBPQYRKIGDTB-UHFFFAOYSA-N

Formula

C15H12N2O7

SMILES

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

Molecular Weight¹

332.26

Other Names

• ortho,meta'-«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	[2557.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		NIST
Inp	2557.00		NIST
Inp	2558.00		NIST
Inp	2557.00		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 2-Nitrophenyl-3-nitrophenyl-hydroxyacetic acid, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.