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Chemical Properties of 3-BENZOYLINDOLE

3-BENZOYLINDOLE

InChI
InChI=1S/C15H11NO/c17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14/h1-10,16H
InChI Key
ADHQLIGSIQGNBW-UHFFFAOYSA-N
Formula
C15H11NO
SMILES
O=C(c1ccccc1)c1c[nH]c2ccccc12
Molecular Weight1
221.26
Other Names
  • 3-Benzoylindole
  • Ketone, indol-3-yl phenyl
  • Methanone, 1H-indol-3-ylphenyl-
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Physical Properties

Property Value Unit Source
ΔfH°gas 106.80 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 107.35 kJ/mol Relay (1.0) Calculated Property
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -4.27 Relay (1.0) Calculated Property
logPoct/wat 2.917 Crippen Calculated Property
McVol 171.080 ml/mol McGowan Calculated Property
Pc 3320.69 kPa Relay (1.0-beta) Calculated Property
Tboil 653.19 K Relay (1.0) Calculated Property
Tc 985.46 K Relay (1.0) Calculated Property
Tfus 433.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Similar Compounds

3-(1H-Indol-3-ylmethyl)-1H-indole. 1H-Indole-3-carboxaldehyde. methyl 1H-indole-3-carboxylate. 3-Carboxaldehyde, 5-methylindole-. 3-Indoleacrylic acid, N-(tert-butyldimethylsilyl)-, (tert-butyldimethylsilyl) ester. 1H-Indole-4-carboxaldehyde. Ethanone, 1-(1H-indol-3-yl)-. 3-(2-Hydroxyethyl)indole, benzyldimethylsilyl ether. Indole-3-carboxylic acid, benzyldimethylsilyl ester. Tryptamine, 1-PFP. Dimetindene M (nor), acetylated. 2-Propenoic acid, 3-[1-(trimethylsilyl)-1H-indol-3-yl]-, trimethylsilyl ester. Pindolol, acetylated. 1,5-Diazobicyclo[3.2.1]octane, 8-indol-3-yl-. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester.

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Sources

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