- InChI
- InChI=1S/C4H3NO/c1-5-3-2-4-6/h1H3
- InChI Key
- TYRNLNDZPWBIKE-UHFFFAOYSA-N
- Formula
- C4H3NO
- SMILES
- CN=C=C=C=O
- Molecular Weight1
- 81.07
- CAS
- 145355-49-3
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 920.00 | kJ/mol | NIST |
| BasG | 887.50 | kJ/mol | NIST |
| ΔfH°gas | 194.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | -0.171 | Crippen Calculated Property | |
| McVol | 65.870 | ml/mol | McGowan Calculated Property |
| Pc | 5536.07 | kPa | Joback Calculated Property |
| Tboil | 364.13 | K | Joback Calculated Property |
| Tc | 569.19 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CH3NCCCO.
Sources
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