- InChI
- InChI=1S/C16H15N/c1-12-3-5-13(6-4-12)14-7-8-16-15(11-14)9-10-17(16)2/h3-11H,1-2H3
- InChI Key
- LRIVZGQWUDDUBO-UHFFFAOYSA-N
- Formula
- C16H15N
- SMILES
- Cc1ccc(-c2ccc3c(ccn3C)c2)cc1
- Molecular Weight1
- 221.30
- 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.
- 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 | 0.5451 | Relay (1.0) Calculated Property | |
| ΔfG° | 348.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 211.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.154 | Crippen Calculated Property | |
| McVol | 183.600 | ml/mol | McGowan Calculated Property |
| Pc | 2505.04 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2311.00; 2311.00] |
|
|
| Inp | 2311.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Tboil | 658.91 | K | Relay (1.0) Calculated Property |
| Tc | 908.62 | K | Relay (1.0) Calculated Property |
| Tfus | 383.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indole, 5-(4-methylphenyl)-N-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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