- InChI
- InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
- InChI Key
- VUIMBZIZZFSQEE-UHFFFAOYSA-N
- Formula
- C10H9NO
- SMILES
- CC(=O)c1c[nH]c2ccccc12
- Molecular Weight1
- 159.18
- CAS
- 703-80-0
- Other Names
-
- Ketone, indol-3-yl methyl
- 3-Acetyl-1H-indole
- 3-Acetylindole
- 3-Indolyl methyl ketone
- Acetyl-3-indole
- indol-3-yl methyl ketone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5011 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -39.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.889 | Crippen Calculated Property | |
| McVol | 124.390 | ml/mol | McGowan Calculated Property |
| Pc | 4083.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 582.50 | K | Relay (1.0) Calculated Property |
| Tc | 866.08 | K | Relay (1.0) Calculated Property |
| Tfus | 393.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(1H-indol-3-yl)-.
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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