- InChI
- InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
- InChI Key
- FIRXFHJQGIIJDB-UHFFFAOYSA-N
- Formula
- C9H11N
- SMILES
- CN1CCc2ccccc21
- Molecular Weight1
- 133.19
- CAS
- 824-21-5
- Other Names
-
- 1-Methyl-2,3-dihydro-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.
- I : 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 | 0.4034 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 139.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.679 | Crippen Calculated Property | |
| McVol | 113.030 | ml/mol | McGowan Calculated Property |
| Pc | 3810.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1230.00; 1248.00] |
|
|
| Inp | 1230.00 | NIST | |
| Inp | 1248.00 | NIST | |
| I | [1756.00; 1776.00] |
|
|
| I | 1756.00 | NIST | |
| I | 1776.00 | NIST | |
| Tboil | 504.21 | K | Relay (1.0) Calculated Property |
| Tc | 734.70 | K | Relay (1.0) Calculated Property |
| Tfus | 253.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 2,3-dihydro-1-methyl-.
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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