- InChI
- InChI=1S/C10H13NO3/c1-7(11-14-3)8-4-5-9(12)10(6-8)13-2/h4-6,12H,1-3H3/b11-7-
- InChI Key
- RDXVUAUDVFNMGC-XFFZJAGNSA-N
- Formula
- C10H13NO3
- SMILES
- CON=C(C)c1ccc(O)c(OC)c1
- Molecular Weight1
- 195.22
- 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 | -393.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.771 | Crippen Calculated Property | |
| McVol | 151.290 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | 1703.00 | NIST | |
| Tboil | 661.88 | K | Joback Calculated Property |
| Tc | 894.94 | K | Joback Calculated Property |
Similar Compounds
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Sources
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