Chemical Properties of 1H-Indole, 7-methyl- (CAS 933-67-5)

InChI

InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3

InChI Key

KGWPHCDTOLQQEP-UHFFFAOYSA-N

Formula

C9H9N

SMILES

Cc1cccc2cc[nH]c12

Molecular Weight¹

131.17

CAS

933-67-5

Other Names

• Indole, 7-methyl-
• 7-Methylindol
• 7-Methylindole

• 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.
• I : 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
IE	[7.53; 7.71]	eV
IE	7.71 ± 0.00	eV	NIST
IE	7.71 ± 0.00	eV	NIST
IE	7.53 ± 0.01	eV	NIST
log10WS	-2.97		Crippen Calculated Property
logPoct/wat	1.994		Crippen Calculated Property
McVol	108.730	ml/mol	McGowan Calculated Property
Inp	[235.49; 1384.00]
Inp	1346.00		NIST
Inp	1346.00		NIST
Inp	1353.00		NIST
Inp	1365.00		NIST
Inp	1384.00		NIST
Inp	1383.20		NIST
Inp	Outlier 235.49		NIST
Inp	1383.20		NIST
I	[2400.00; 2430.00]
I	2400.00		NIST
I	2430.00		NIST
I	2400.00		NIST
Tboil	539.20	K	NIST
Tfus	356.00 ± 2.00	K	NIST

Similar Compounds

Find more compounds similar to 1H-Indole, 7-methyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.