- InChI
- InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3
- InChI Key
- AUFIRGPROMANKW-UHFFFAOYSA-N
- Formula
- C6H11N
- SMILES
- CN1CC=CCC1
- Molecular Weight1
- 97.16
- CAS
- 694-55-3
- Other Names
-
- Pyridine, 1,2,3,6-tetrahydro-1-methyl-
- N-Methyl-1,2,5,6-tetrahydropyridine
- 1-Methyl-3-piperideine
- 1,2,3,4-tetrahydro-1-methylpyridine
- 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).
- 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 | 0.2371 | Relay (... Calculated Property | |
| ΔfG° | 206.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 101.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 48.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 ± 0.05 | eV | NIST |
| log10WS | 0.79 | Relay (... Calculated Property | |
| logPoct/wat | 0.878 | Crippen Calculated Property | |
| McVol | 90.220 | ml/mol | McGowan Calculated Property |
| Pc | 4107.16 | kPa | Relay (... Calculated Property ⚠️ |
| I | [1030.00; 1030.00] |
|
|
| I | 1030.00 | NIST | |
| I | 1030.00 | NIST | |
| Tboil | 375.80 | K | Relay (... Calculated Property |
| Tc | 570.83 | K | Relay (... Calculated Property |
| Tfus | 195.85 | K | Relay (... Calculated Property |
| Vc | 0.319 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-1,2,3,6-tetrahydropyridine.
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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