- InChI
- InChI=1S/C9H11NO/c1-6-4-7(2)9(10-11)8(3)5-6/h4-5H,1-3H3
- InChI Key
- FEKDDEQYKDNKJG-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- Cc1cc(C)c(N=O)c(C)c1
- Molecular Weight1
- 149.19
- CAS
- 1196-12-9
- 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 | 107.40 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | 48.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 510.34 | K | Joback Calculated Property |
| Tc | 718.78 | K | Joback Calculated Property |
Similar Compounds
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Sources
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