Chemical Properties of 1H-Indole-2,3-dione, 5-nitro- (CAS 611-09-6)

InChI

InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)

InChI Key

UNMYHYODJHKLOC-UHFFFAOYSA-N

Formula

C8H4N2O4

SMILES

O=C1Nc2ccc([N+](=O)[O-])cc2C1=O

Molecular Weight¹

192.13

CAS

611-09-6

Other Names

• Indole-2,3-dione, 5-nitro-
• Isatin, 5-nitro-
• 5-Nitroisatin
• 5-Nitroindole-2,3-dione
• 5-Nitro-1H-indole-2,3-dione
• 2,3-dihydro-5-nitroindole-2,3-dione

• 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	[316.73; 361.49]	J/mol×K	[766.52; 1055.95]
Cp,gas	316.73	J/mol×K	766.52	Joback Calculated Property
Cp,gas	327.10	J/mol×K	814.76	Joback Calculated Property
Cp,gas	336.36	J/mol×K	863.00	Joback Calculated Property
Cp,gas	344.47	J/mol×K	911.24	Joback Calculated Property
Cp,gas	351.38	J/mol×K	959.47	Joback Calculated Property
Cp,gas	357.07	J/mol×K	1007.71	Joback Calculated Property
Cp,gas	361.49	J/mol×K	1055.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole-2,3-dione, 5-nitro-.

Sources

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

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