- InChI
- InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
- InChI Key
- UUCUQJHYUPXDHN-UHFFFAOYSA-N
- Formula
- C10H9NO
- SMILES
- CC(=O)n1ccc2ccccc21
- Molecular Weight1
- 159.18
- CAS
- 576-15-8
- Other Names
-
- 1H-Indole, 1-acetyl-
- Indole, 1-acetyl-
- 1-Acetyl-1H-indole
- 1-Acetylindole
- Acetylindole
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4964 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -57.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.301 | Crippen Calculated Property | |
| McVol | 124.390 | ml/mol | McGowan Calculated Property |
| Pc | 3946.36 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1487.00; 1530.00] |
|
|
| Inp | 1530.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1530.00 | NIST | |
| I | [2438.00; 2481.00] |
|
|
| I | 2438.00 | NIST | |
| I | 2481.00 | NIST | |
| Tboil | 574.17 | K | Relay (1.0) Calculated Property |
| Tc | 832.96 | K | Relay (1.0) Calculated Property |
| Tfus | 357.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.70 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to N-Acetylindole.
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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