- InChI
- InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
- InChI Key
- JCQLPDZCNSVBMS-UHFFFAOYSA-N
- Formula
- C15H13NO
- SMILES
- c1ccc(COc2ccc3[nH]ccc3c2)cc1
- Molecular Weight1
- 223.27
- CAS
- 1215-59-4
- Other Names
-
- 5-Benzyloxyindole
- Indole, 5-(benzyloxy)-
- 5-(Phenylmethoxy)-1H-indole
- Benzyloxy-5 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).
- 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 | 0.5976 | Relay (1.0) Calculated Property | |
| ΔfG° | 229.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 123.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.265 | Crippen Calculated Property | |
| McVol | 175.380 | ml/mol | McGowan Calculated Property |
| Pc | 3380.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 648.15 | K | Relay (1.0) Calculated Property |
| Tc | 954.81 | K | Relay (1.0) Calculated Property |
| Tfus | 386.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 5-(phenylmethoxy)-.
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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