- InChI
- InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3
- InChI Key
- DEGXTCKEZCCZOP-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(C)Cc1cccnc1
- Molecular Weight1
- 135.21
- CAS
- 14159-61-6
- Other Names
-
- «beta»-Isobutylpyridine
- 3-Isobutylpyridine
- 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.
- 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 | 0.3871 | Relay (... Calculated Property | |
| ΔfG° | 184.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 27.58 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 53.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.36 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 2.280 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3142.34 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1075.00; 1077.00] |
|
|
| Inp | 1075.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Tboil | 471.98 | K | Relay (... Calculated Property |
| Tc | 683.61 | K | Relay (... Calculated Property |
| Tfus | 223.02 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-(2-methylpropyl)-.
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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