- InChI
- InChI=1S/C9H13NO/c1-9(2,3)8-4-6-10(11)7-5-8/h4-7H,1-3H3
- InChI Key
- CMFQXPIZAKBRCG-UHFFFAOYSA-N
- Formula
- C9H13NO
- SMILES
- CC(C)(C)c1cc[n+]([O-])cc1
- Molecular Weight1
- 151.21
- CAS
- 23569-17-7
- Other Names
-
- Pyridine,4-(1,1-dimethylethyl)-,1-oxide
- 4-t-Butylpyridine-N-oxide
- 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).
- 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 | 0.3647 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 27.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.80; 8.00] | eV |
|
| IE | 7.80 | eV | NIST |
| IE | 8.00 | eV | NIST |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.617 | Crippen Calculated Property | |
| McVol | 129.760 | ml/mol | McGowan Calculated Property |
| Pc | 3072.74 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 495.51 | K | Relay (1.0) Calculated Property |
| Tc | 706.97 | K | Relay (1.0) Calculated Property |
| Tfus | 395.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-t-Butyl pyridine, 1-oxide.
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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