- InChI
- InChI=1S/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
- InChI Key
- WVPGIDWFLXGCLA-UHFFFAOYSA-N
- Formula
- C12H15N
- SMILES
- CC(C)(C)c1cc2ccccc2[nH]1
- Molecular Weight1
- 173.25
- CAS
- 1805-65-8
- Other Names
-
- Indole, 2-tert-butyl-
- 2-tert-Butylindole
- 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 | 0.4429 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 37.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.983 | Crippen Calculated Property | |
| McVol | 151.000 | ml/mol | McGowan Calculated Property |
| Pc | 2866.30 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 549.78 | K | Relay (1.0) Calculated Property |
| Tc | 815.96 | K | Relay (1.0) Calculated Property |
| Tfus | 400.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 2-(1,1-dimethylethyl)-.
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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