- InChI
- InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
- InChI Key
- NAPPMSNSLWACIV-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- Cc1cn(C)c2ccccc12
- Molecular Weight1
- 145.20
- CAS
- 875-30-9
- Other Names
-
- Indole, 1,3-dimethyl-
- 1,3-Dimethylindole
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4431 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 122.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.487 | Crippen Calculated Property | |
| McVol | 122.820 | ml/mol | McGowan Calculated Property |
| Pc | 3665.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1383.00; 1383.00] |
|
|
| Inp | 1383.00 | NIST | |
| Inp | 1383.00 | NIST | |
| Tboil | 531.70 | K | NIST |
| Tc | 777.17 | K | Relay (1.0) Calculated Property |
| Tfus | 308.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 392.20 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole, 1,3-dimethyl-.
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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