- InChI
- InChI=1S/C8H9NO2/c1-6-2-3-8(10)7(4-6)5-9-11/h2-5,10-11H,1H3
- InChI Key
- CFPNMYCFVVUHHC-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- Cc1ccc(O)c(C=NO)c1
- Molecular Weight1
- 151.16
- 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 | -230.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Joback Calculated Property |
| log10WS | -0.80 | Crippen Calculated Property | |
| logPoct/wat | 1.509 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Inp | 1627.00 | NIST | |
| Tboil | 663.58 | K | Joback Calculated Property |
| Tc | 888.45 | K | Joback Calculated Property |
Similar Compounds
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Sources
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