- InChI
- InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-6-4-5-7-11(10)13-9-14/h4-7H,2-3,8H2,1H3
- InChI Key
- QNWQMUCMHVKVGU-UHFFFAOYSA-N
- Formula
- C12H13NO3
- SMILES
- CCCCOC(=O)c1ccccc1N=C=O
- Molecular Weight1
- 219.24
- CAS
- 51310-19-1
- Other Names
-
- 2-Butoxycarbonylphenyl isocyanate
- 4-n-Butoxycarbonylphenyl isocyanate
- 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 | -316.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.45 | Crippen Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 170.870 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Tboil | 648.58 | K | Joback Calculated Property |
| Tc | 861.62 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-N-Carbobutoxyphenyl isocyanate.
Sources
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