- InChI
- InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3
- InChI Key
- OUYLXVQKVBXUGW-UHFFFAOYSA-N
- Formula
- C6H9N
- SMILES
- Cc1cc[nH]c1C
- Molecular Weight1
- 95.14
- CAS
- 600-28-2
- Other Names
-
- 2,3-dimethyl-1H-pyrrole
- 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.
- 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 | 0.3421 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 17.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 85.920 | ml/mol | McGowan Calculated Property |
| Pc | 4787.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 804.00 | NIST | |
| I | [1620.00; 1620.00] |
|
|
| I | 1620.00 | NIST | |
| I | 1620.00 | NIST | |
| Tboil | 449.83 | K | Relay (1.0) Calculated Property |
| Tc | 658.25 | K | Relay (1.0) Calculated Property |
| Tfus | 315.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole, 2,3-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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