Chemical Properties of 1H-Indole-2,3-dione, 1-methyl- (CAS 2058-74-4)

InChI

InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3

InChI Key

VCYBVWFTGAZHGH-UHFFFAOYSA-N

Formula

C9H7NO2

SMILES

CN1C(=O)C(=O)c2ccccc21

Molecular Weight¹

161.16

CAS

2058-74-4

Other Names

• Indole-2,3-dione, 1-methyl-
• N-Methylisatin
• OL 57
• 1-Methylisatin
• 1-Methyl-indole-2,3-dione
• 1-Methyl-2,3-indolinedione
• Indole-2,3-dione, N-methyl-
• 1-Methyl-1H-indole-2,3-dione
• NSC 42449
• 1-methyl-2,3-dihydroindole-2,3-dione
• 1-Methyl-1H-indole-2,3-dione (N-methylisatin)

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-130.58	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	105.60 ± 3.30	kJ/mol	NIST
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	0.846		Crippen Calculated Property
McVol	116.170	ml/mol	McGowan Calculated Property
Inp	[1477.00; 1477.00]
Inp	1477.00		NIST
Inp	1477.00		NIST
Tboil	568.86	K	Relay (1.0) Calculated Property
Tfus	397.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen 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.
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