- InChI
- InChI=1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3
- InChI Key
- JASTZOAHAWBRLM-UHFFFAOYSA-N
- Formula
- C9H7NO2
- SMILES
- CC(=O)c1cccc(N=C=O)c1
- Molecular Weight1
- 161.16
- CAS
- 23138-64-9
- Other Names
-
- 3-Acetylphenyl isocyanate
- 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).
- 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 | -122.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.61 | Crippen Calculated Property | |
| logPoct/wat | 1.856 | Crippen Calculated Property | |
| McVol | 122.730 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 557.52 | K | Joback Calculated Property |
| Tc | 785.09 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Isocyanatoacetophenone.
Sources
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