- InChI
- InChI=1S/C8H9NO2/c1-6-3-4-9-5-8(6)11-7(2)10/h3-5H,1-2H3
- InChI Key
- JLIFSYCXGJGLGE-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CC(=O)Oc1cnccc1C
- Molecular Weight1
- 151.16
- CAS
- 1006-96-8
- Other Names
-
- 3-Acetoxy-4-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 | 0.5015 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -258.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3825.33 | kPa | Relay (1.0-beta) Calculated Property |
| I | 1897.00 | NIST | |
| Tboil | 495.75 | K | Relay (1.0) Calculated Property |
| Tc | 723.06 | K | Relay (1.0) Calculated Property |
| Tfus | 300.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pyridinol, 4-methyl-, acetate (ester).
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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