- InChI
- InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
- InChI Key
- ONYNOPPOVKYGRS-UHFFFAOYSA-N
- Formula
- C9H9N
- SMILES
- Cc1ccc2cc[nH]c2c1
- Molecular Weight1
- 131.17
- CAS
- 3420-02-8
- Other Names
-
- 6-Methylindole
- Indole, 6-methyl-
- 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).
- Pvap : Vapor pressure (kPa).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 7.54 ± 0.01 | eV | NIST |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 108.730 | ml/mol | McGowan Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [394.09; 571.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39985e+01 | |||
| Coefficient B | -4.20390e+03 | |||
| Coefficient C | -8.74780e+01 | |||
| Temperature range, min. | 394.09 | |||
| Temperature range, max. | 571.40 | |||
| Pvap | 1.33 | kPa | 394.09 | Calculated Property |
| Pvap | 3.05 | kPa | 413.79 | Calculated Property |
| Pvap | 6.35 | kPa | 433.49 | Calculated Property |
| Pvap | 12.23 | kPa | 453.19 | Calculated Property |
| Pvap | 22.00 | kPa | 472.89 | Calculated Property |
| Pvap | 37.40 | kPa | 492.60 | Calculated Property |
| Pvap | 60.51 | kPa | 512.30 | Calculated Property |
| Pvap | 93.82 | kPa | 532.00 | Calculated Property |
| Pvap | 140.15 | kPa | 551.70 | Calculated Property |
| Pvap | 202.63 | kPa | 571.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 6-methyl-.
Sources
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