- InChI
- InChI=1S/C6H13NO/c1-4-6(5-2)7-8-3/h4-5H2,1-3H3
- InChI Key
- YKOMOGKWTRYSHD-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CCC(CC)=NOC
- Molecular Weight1
- 115.17
- CAS
- 15754-22-0
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -226.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.809 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | [763.00; 763.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Tboil | 435.66 | K | Joback Calculated Property |
| Tc | 626.47 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, O-methyloxime.
Sources
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