Chemical Properties of N-Acetyl-3-methylindole (CAS 23543-66-0)

InChI

InChI=1S/C11H11NO/c1-8-7-12(9(2)13)11-6-4-3-5-10(8)11/h3-7H,1-2H3

InChI Key

BWMWADPREVTFDJ-UHFFFAOYSA-N

Formula

C11H11NO

SMILES

CC(=O)n1cc(C)c2ccccc21

Molecular Weight¹

173.21

CAS

23543-66-0

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.610		Crippen Calculated Property
McVol	138.480	ml/mol	McGowan Calculated Property
Inp	1643.00		NIST
I	[2558.00; 2617.00]
I	2558.00		NIST
I	2617.00		NIST
I	2558.00		NIST
Tboil	587.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Similar Compounds

Find more compounds similar to N-Acetyl-3-methylindole.

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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