- InChI
- InChI=1S/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3
- InChI Key
- MJJXWPHZDBIHIM-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
- COc1cc(N=C=O)cc(OC)c1OC
- Molecular Weight1
- 209.20
- CAS
- 1016-19-9
- 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 | -449.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 1.680 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Tboil | 603.75 | K | Joback Calculated Property |
| Tc | 813.85 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Trimethoxyphenyl cyanate.
Sources
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