- InChI
- InChI=1S/C7H11NO3/c1-6(2)4-11-7(10)3-8-5-9/h6H,3-4H2,1-2H3
- InChI Key
- OWODJWQSTODZEF-UHFFFAOYSA-N
- Formula
- C7H11NO3
- SMILES
- CC(C)COC(=O)CN=C=O
- Molecular Weight1
- 157.17
- CAS
- 89775-61-1
- 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 | -443.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 0.521 | Crippen Calculated Property | |
| McVol | 124.180 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 502.08 | K | Joback Calculated Property |
| Tc | 692.47 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Iso-butyl iso-cyanato acetate.
Sources
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