- InChI
- InChI=1S/C11H11NO/c1-2-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
- InChI Key
- KMVYYLYKRGELJE-UHFFFAOYSA-N
- Formula
- C11H11NO
- SMILES
- CCC(=O)c1c[nH]c2ccccc12
- Molecular Weight1
- 173.21
- CAS
- 22582-68-9
- Other Names
-
- 1-(1H-indol-3-yl)propan-1-one
- 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 | 0.5309 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -61.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.279 | Crippen Calculated Property | |
| McVol | 138.480 | ml/mol | McGowan Calculated Property |
| Pc | 3182.31 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 588.01 | K | Relay (1.0) Calculated Property |
| Tc | 858.10 | K | Relay (1.0) Calculated Property |
| Tfus | 404.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Indolyl)-1-propanone.
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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