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)

• ω : Acentric Factor.
• 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 a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ω	0.5456		Relay (1.0) Calculated Property
ΔfG°	-76.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-130.58	kJ/mol	Relay (1.0) Calculated Property
ΔsubH°	105.60 ± 3.30	kJ/mol	NIST
ΔvapH°	72.28	kJ/mol	Relay (1.0) Calculated Property
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
Pc	3825.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[1477.00; 1477.00]
Inp	1477.00		NIST
Inp	1477.00		NIST
Tboil	568.86	K	Relay (1.0) Calculated Property
Tc	839.50	K	Relay (1.0) Calculated Property
Tfus	405.25	K	Relay (1.0) Calculated Property
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

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

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