- InChI
- InChI=1S/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
- InChI Key
- QJRWYBIKLXNYLF-UHFFFAOYSA-N
- Formula
- C9H9NO
- SMILES
- COc1ccc2cc[nH]c2c1
- Molecular Weight1
- 147.17
- CAS
- 3189-13-7
- Other Names
-
- Indole, 6-methoxy-
- 6-Methoxyindole
- 6-Methoxy-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 | 0.4803 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.47 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 9.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.695 | Crippen Calculated Property | |
| McVol | 114.600 | ml/mol | McGowan Calculated Property |
| Pc | 4408.92 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1563.00; 1574.00] |
|
|
| Inp | 1563.00 | NIST | |
| Inp | 1574.00 | NIST | |
| I | [2807.00; 2826.00] |
|
|
| I | 2807.00 | NIST | |
| I | 2826.00 | NIST | |
| Tboil | 573.12 | K | Relay (1.0) Calculated Property |
| Tc | 818.80 | K | Relay (1.0) Calculated Property |
| Tfus | 365.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 6-methoxy-.
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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