- InChI
- InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
- InChI Key
- AGQOIYCTCOEHGR-UHFFFAOYSA-N
- Formula
- C4H5NO
- SMILES
- Cc1ccno1
- Molecular Weight1
- 83.09
- CAS
- 5765-44-6
- Other Names
-
- NSC 52269
- 5-Methylisoxazole
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-2283.00; -2261.70] | kJ/mol |
|
| ΔcH°liquid | -2283.00 ± 0.71 | kJ/mol | NIST |
| ΔcH°liquid | -2261.70 ± 2.30 | kJ/mol | NIST |
| ΔfH°gas | [15.00; 34.10] | kJ/mol |
|
| ΔfH°gas | 34.10 ± 0.75 | kJ/mol | NIST |
| ΔfH°gas | 15.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | [-26.90; -5.61] | kJ/mol |
|
| ΔfH°liquid | -5.61 ± 0.75 | kJ/mol | NIST |
| ΔfH°liquid | -26.90 ± 2.30 | kJ/mol | NIST |
| ΔvapH° | [39.70; 42.00] | kJ/mol |
|
| ΔvapH° | 39.70 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 39.70 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 42.00 ± 2.00 | kJ/mol | NIST |
| IE | 9.61 | eV | NIST |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 0.983 | Crippen Calculated Property | |
| McVol | 63.610 | ml/mol | McGowan Calculated Property |
| Inp | [702.00; 702.00] |
|
|
| Inp | 702.00 | NIST | |
| Inp | 702.00 | NIST | |
| I | [1215.00; 1215.00] |
|
|
| I | 1215.00 | NIST | |
| I | 1215.00 | NIST | |
| Tboil | 395.20 | K | NIST |
Similar Compounds
Find more compounds similar to Isoxazole, 5-methyl-.
Sources
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