- InChI
- InChI=1S/C11H13N/c1-7-4-5-11-10(6-7)8(2)9(3)12-11/h4-6,12H,1-3H3
- InChI Key
- HOFNMMIHFZBKPW-UHFFFAOYSA-N
- Formula
- C11H13N
- SMILES
- Cc1ccc2[nH]c(C)c(C)c2c1
- Molecular Weight1
- 159.23
- CAS
- 21296-92-4
- Other Names
-
- Indole, 2,3,5-trimethyl-
- 2,3,5-Trimethylindole
- 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 | 0.4801 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 136.910 | ml/mol | McGowan Calculated Property |
| Pc | 3498.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [272.57; 273.61] |
|
|
| Inp | 273.61 | NIST | |
| Inp | 272.57 | NIST | |
| Tboil | 562.85 | K | Relay (1.0) Calculated Property |
| Tc | 813.11 | K | Relay (1.0) Calculated Property |
| Tfus | 427.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole, 2,3,5-trimethyl-.
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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