- InChI
- InChI=1S/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3
- InChI Key
- STUZJORZRZCLRI-UHFFFAOYSA-N
- Formula
- C12H11NO2
- SMILES
- CC(=O)c1cn(C(C)=O)c2ccccc12
- Molecular Weight1
- 201.22
- CAS
- 17537-64-3
- Other Names
-
- 1H-Indole, 1,3-diacetyl-
- 1,3-Diacetylindol
- N,3-diacetyl-indole
- 1,3-diacetyl-1H-indole
- 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.
- 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 | 0.6061 | Relay (1.0) Calculated Property | |
| ΔfG° | 9.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -232.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.504 | Crippen Calculated Property | |
| McVol | 154.140 | ml/mol | McGowan Calculated Property |
| Pc | 2825.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1903.00; 1903.00] |
|
|
| Inp | 1903.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Tboil | 608.36 | K | Relay (1.0) Calculated Property |
| Tc | 881.95 | K | Relay (1.0) Calculated Property |
| Tfus | 399.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diacetylindole.
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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