- InChI
- InChI=1S/C10H13NO2/c1-3-11-10(12)8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H,11,12)
- InChI Key
- HTGKXUZEDPDFIO-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCN=C(O)c1cccc(OC)c1
- Molecular Weight1
- 179.22
- 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 | -236.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 2.020 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | [1709.00; 1709.00] |
|
|
| Inp | 1709.00 | NIST | |
| Inp | 1709.00 | NIST | |
| Tboil | 651.02 | K | Joback Calculated Property |
| Tc | 860.75 | K | Joback Calculated Property |
Similar Compounds
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Sources
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