- InChI
- InChI=1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3
- InChI Key
- BFQARNDIMKOOQQ-UHFFFAOYSA-N
- Formula
- C9H11N
- SMILES
- CC1CNc2ccccc21
- Molecular Weight1
- 133.19
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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.
- I : 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 | 0.3934 | Relay (... Calculated Property | |
| ΔfG° | 276.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.46 | kJ/mol | Relay (... Calculated Property |
| IE | 7.46 | eV | Relay (... Calculated Property |
| log10WS | -2.22 | Relay (... Calculated Property | |
| logPoct/wat | 2.216 | Crippen Calculated Property | |
| McVol | 113.030 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Inp | [1330.00; 1344.00] |
|
|
| Inp | 1330.00 | NIST | |
| Inp | 1344.00 | NIST | |
| I | [2037.00; 2060.00] |
|
|
| I | 2037.00 | NIST | |
| I | 2060.00 | NIST | |
| Tboil | 506.90 | K | Relay (... Calculated Property |
| Tc | 755.93 | K | Relay (... Calculated Property |
| Tfus | 296.94 | K | Relay (... Calculated Property |
| Vc | 0.405 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.67; 316.08] | J/mol×K | [492.27; 725.45] |
|
| Cp,gas | 240.67 | J/mol×K | 492.27 | Joback Calculated Property |
| Cp,gas | 255.54 | J/mol×K | 531.13 | Joback Calculated Property |
| Cp,gas | 269.41 | J/mol×K | 570.00 | Joback Calculated Property |
| Cp,gas | 282.35 | J/mol×K | 608.86 | Joback Calculated Property |
| Cp,gas | 294.40 | J/mol×K | 647.72 | Joback Calculated Property |
| Cp,gas | 305.62 | J/mol×K | 686.59 | Joback Calculated Property |
| Cp,gas | 316.08 | J/mol×K | 725.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-dihydroindole.
Sources
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