- InChI
- InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
- InChI Key
- MBBOMCVGYCRMEA-UHFFFAOYSA-N
- Formula
- C10H11NO
- SMILES
- OCCc1c[nH]c2ccccc12
- Molecular Weight1
- 161.20
- CAS
- 526-55-6
- Other Names
-
- 1H-Indole-3-ethanol
- 1H-Indolyl-3-ethanol
- 2-(1H-indol-3-yl)ethanol
- 2-(3-indolyl)ethanol
- 3-(2-hydroxyethyl)-1H-indole
- 3-(2-hydroxyethyl)indole
- 3-(«beta»-Hydroxyethyl)indole
- 3-Indoleethanol
- 3-Indolylethanol
- Ethanol, 2-indol-3-yl-
- Ethanol, 3-indolyl-
- IEA
- Indole-3-ethanol
- Indoleethanol
- NSC 3884
- dl-Tryptophanol
- «beta»-(3-Indole)ethanol
- «beta»-indol-3-ylethanol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.7045 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -67.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.221 | Crippen Calculated Property | |
| McVol | 128.690 | ml/mol | McGowan Calculated Property |
| Pc | 4140.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1750.00; 1787.70] |
|
|
| Inp | 1750.00 | NIST | |
| Inp | 1787.70 | NIST | |
| Inp | 1750.00 | NIST | |
| I | 2882.00 | NIST | |
| Tboil | 609.39 | K | Relay (1.0) Calculated Property |
| Tc | 889.43 | K | Relay (1.0) Calculated Property |
| Tfus | 360.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 119.80 | kJ/mol | 298.15 | Calorimetric and computational study of (1H-Indol-n-yl)methanol and 2-(1H-Indol-n-yl)ethanol (n=2, 3) |
Similar Compounds
Find more compounds similar to Tryptophol.
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
- Calorimetric and computational study of (1H-Indol-n-yl)methanol and 2-(1H-Indol-n-yl)ethanol (n=2, 3)
- McGowan Method
- NIST Webbook
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