- InChI
- InChI=1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3
- InChI Key
- ZCLBSYCOBSMTMV-UHFFFAOYSA-N
- Formula
- C9H15NO3
- SMILES
- CCOC(=O)CCCCCN=C=O
- Molecular Weight1
- 185.22
- CAS
- 5100-36-7
- 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 | -479.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 152.360 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Tboil | 548.28 | K | Joback Calculated Property |
| Tc | 730.70 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 6-isocyanatohexanoate.
Sources
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