Chemical Properties of 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one (CAS 77619-93-3)

InChI

InChI=1S/C8H5NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3,7,10H

InChI Key

WUQPXBMPKNIUCE-UHFFFAOYSA-N

Formula

C8H5NO5

SMILES

O=C1OC(O)c2ccc([N+](=O)[O-])cc21

Molecular Weight¹

195.13

CAS

77619-93-3

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.63; 372.10]	J/mol×K	[764.61; 1011.53]
Cp,gas	331.63	J/mol×K	764.61	Joback Calculated Property
Cp,gas	340.13	J/mol×K	805.76	Joback Calculated Property
Cp,gas	347.89	J/mol×K	846.92	Joback Calculated Property
Cp,gas	354.94	J/mol×K	888.07	Joback Calculated Property
Cp,gas	361.30	J/mol×K	929.22	Joback Calculated Property
Cp,gas	367.02	J/mol×K	970.38	Joback Calculated Property
Cp,gas	372.10	J/mol×K	1011.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one.

Sources

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

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