- InChI
- InChI=1S/C10H12FNO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H,12,13)
- InChI Key
- SSGDOCAXHMWLDP-UHFFFAOYSA-N
- Formula
- C10H12FNO
- SMILES
- CCCN=C(O)c1cccc(F)c1
- Molecular Weight1
- 181.21
- 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 | -300.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 141.320 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | [1540.00; 1540.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Tboil | 627.87 | K | Joback Calculated Property |
| Tc | 830.63 | K | Joback Calculated Property |
Similar Compounds
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Sources
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