- InChI
- InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3
- InChI Key
- KGWPHCDTOLQQEP-UHFFFAOYSA-N
- Formula
- C9H9N
- SMILES
- Cc1cccc2cc[nH]c12
- Molecular Weight1
- 131.17
- CAS
- 933-67-5
- Other Names
-
- Indole, 7-methyl-
- 7-Methylindol
- 7-Methylindole
- 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 | 0.4023 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 124.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.53; 7.71] | eV |
|
| IE | 7.71 ± 0.00 | eV | NIST |
| IE | 7.71 ± 0.00 | eV | NIST |
| IE | 7.53 ± 0.01 | eV | NIST |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 108.730 | ml/mol | McGowan Calculated Property |
| Pc | 4826.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [235.49; 1384.00] |
|
|
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1384.00 | NIST | |
| Inp | 1383.20 | NIST | |
| Inp | Outlier 235.49 | NIST | |
| Inp | 1383.20 | NIST | |
| I | [2400.00; 2430.00] |
|
|
| I | 2400.00 | NIST | |
| I | 2430.00 | NIST | |
| I | 2400.00 | NIST | |
| Tboil | 539.20 | K | NIST |
| Tc | 795.87 | K | Relay (1.0) Calculated Property |
| Tfus | 356.00 ± 2.00 | K | NIST |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 7-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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.