- InChI
- InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3
- InChI Key
- IFDZZSXEPSSHNC-UHFFFAOYSA-N
- Formula
- C3H7NO
- SMILES
- CCC=NO
- Molecular Weight1
- 73.09
- CAS
- 627-39-4
- Other Names
-
- Propionaldehyde oxime
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5556 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -70.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 46.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.856 | Crippen Calculated Property | |
| McVol | 64.680 | ml/mol | McGowan Calculated Property |
| Pc | 4333.96 | kPa | Joback Calculated Property |
| Inp | [689.00; 689.00] |
|
|
| Inp | 689.00 | NIST | |
| Inp | 689.00 | NIST | |
| Tboil | 395.05 | K | Relay (1.0) Calculated Property |
| Tc | 590.95 | K | Relay (1.0) Calculated Property |
| Tfus | 280.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.20 | kJ/mol | 326.00 | NIST |
Similar Compounds
Find more compounds similar to Propanal, oxime.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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