- InChI
- InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
- InChI Key
- DWAQDRSOVMLGRQ-UHFFFAOYSA-N
- Formula
- C9H9NO
- SMILES
- COc1ccc2[nH]ccc2c1
- Molecular Weight1
- 147.17
- CAS
- 1006-94-6
- Other Names
-
- Femedol
- Indole, 5-methoxy-
- 5-Methoxyindole
- 5-Methoxy-1H-indole
- Methoxy-5 indole
- indol-5-yl methyl ether
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4810 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 13.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.695 | Crippen Calculated Property | |
| McVol | 114.600 | ml/mol | McGowan Calculated Property |
| Pc | 4452.40 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 572.98 | K | Relay (1.0) Calculated Property |
| Tc | 818.79 | K | Relay (1.0) Calculated Property |
| Tfus | 337.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 450.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole, 5-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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