- InChI
- InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
- InChI Key
- ZPSJGADGUYYRKE-UHFFFAOYSA-N
- Formula
- C5H4O2
- SMILES
- O=c1cccco1
- Molecular Weight1
- 96.08
- CAS
- 504-31-4
- Other Names
-
- «alpha»-Pyrone
- Coumalin
- 2-Pyranone
- 2-Pyrone
- 2,4-Pentadienoic acid, 5-hydroxy-, «delta»-lactone
- 2H-Pyran, 2-oxo-
- Pyran-2-one
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 0.640 | Crippen Calculated Property | |
| McVol | 69.290 | ml/mol | McGowan Calculated Property |
| Inp | [973.00; 983.00] |
|
|
| Inp | 973.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 973.00 | NIST | |
| I | 1505.00 | NIST | |
| Tboil | 480.70 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 375.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one.
Sources
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