- InChI
- InChI=1S/C3HNO/c4-2-1-3-5/h4H
- InChI Key
- KBACPIUAINBZQE-UHFFFAOYSA-N
- Formula
- C3HNO
- SMILES
- N=C=C=C=O
- Molecular Weight1
- 67.05
- CAS
- 145798-71-6
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 861.00 | kJ/mol | NIST |
| BasG | 828.50 | kJ/mol | NIST |
| ΔfG° | 332.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 340.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | -0.222 | Crippen Calculated Property | |
| McVol | 51.780 | ml/mol | McGowan Calculated Property |
| Tboil | 349.03 | K | Joback Calculated Property |
| Tfus | 246.83 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [63.10; 81.40] | J/mol×K | [100.12; 349.03] | 
|
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 63.10 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 81.40 | J/mol×K | 349.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to HNCCCO.
Sources
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