- InChI
- InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
- InChI Key
- FLHJIAFUWHPJRT-UHFFFAOYSA-N
- Formula
- C11H13N
- SMILES
- CC1=Nc2ccccc2C1(C)C
- Molecular Weight1
- 159.23
- CAS
- 1640-39-7
- Other Names
-
- 2,3,3-Trimethyl-3H-indole
- 2,3,3-Trimethylindolenine
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 336.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 160.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 3.070 | Crippen Calculated Property | |
| McVol | 136.910 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 501.50 ± 0.50 | K | NIST |
| Tc | 790.08 | K | Joback Calculated Property |
| Tfus | 379.33 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.93; 411.94] | J/mol×K | [547.56; 790.08] | 
|
| Cp,gas | 328.93 | J/mol×K | 547.56 | Joback Calculated Property |
| Cp,gas | 345.19 | J/mol×K | 587.98 | Joback Calculated Property |
| Cp,gas | 360.25 | J/mol×K | 628.40 | Joback Calculated Property |
| Cp,gas | 374.29 | J/mol×K | 668.82 | Joback Calculated Property |
| Cp,gas | 387.46 | J/mol×K | 709.24 | Joback Calculated Property |
| Cp,gas | 399.96 | J/mol×K | 749.66 | Joback Calculated Property |
| Cp,gas | 411.94 | J/mol×K | 790.08 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 501.70 | K | 99.20 | NIST |
Similar Compounds
Find more compounds similar to 3H-Indole, 2,3,3-trimethyl-.
Sources
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