- InChI
- InChI=1S/C9H13N/c1-9(2,3)8-6-4-5-7-10-8/h4-7H,1-3H3
- InChI Key
- UUIMDJFBHNDZOW-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(C)(C)c1ccccn1
- Molecular Weight1
- 135.21
- CAS
- 5944-41-2
- Other Names
-
- Pyridine, 2-(1,1-dimethylethyl)-
- 2-t-Butylpyridine
- 2-(t-C4H9)-Pyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3251 | Relay (1.0) Calculated Property | |
| PAff | 961.70 | kJ/mol | NIST |
| BasG | 929.80 | kJ/mol | NIST |
| ΔfG° | 185.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 17.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 47.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.379 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3129.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 442.19 | K | Relay (1.0) Calculated Property |
| Tc | 661.17 | K | Relay (1.0) Calculated Property |
| Tfus | 240.35 ± 0.30 | K | NIST |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 442.20 | K | 99.10 | NIST |
Similar Compounds
Find more compounds similar to 2-tert-Butylpyridine.
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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