- InChI
- InChI=1S/C12H19N/c1-3-11(2)6-4-7-12-8-5-9-13-10-12/h5,8-11H,3-4,6-7H2,1-2H3
- InChI Key
- PGALAANWFGPCEB-UHFFFAOYSA-N
- Formula
- C12H19N
- SMILES
- CCC(C)CCCc1cccnc1
- Molecular Weight1
- 177.29
- 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 | 0.4932 | Relay (... Calculated Property | |
| ΔfG° | 208.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -28.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -3.00 | Relay (... Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 166.160 | ml/mol | McGowan Calculated Property |
| Pc | 2530.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1418.00; 1418.00] |
|
|
| Inp | 1418.00 | NIST | |
| Inp | 1418.00 | NIST | |
| I | [1888.00; 1888.00] |
|
|
| I | 1888.00 | NIST | |
| I | 1888.00 | NIST | |
| Tboil | 531.95 | K | Relay (... Calculated Property |
| Tc | 738.02 | K | Relay (... Calculated Property |
| Tfus | 213.49 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-(4-methylhexyl).
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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