- InChI
- InChI=1S/C6H12N2/c1-3-5-7-8-6-4-2/h3,6-7H,1,4-5H2,2H3
- InChI Key
- POQUCILEWSEAQS-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- C=CCNN=CCC
- Molecular Weight1
- 112.17
- CAS
- 19031-78-8
- Other Names
-
- Propionaldehyde allylhydrazone
- Propanal, allylhydrazone
- 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).
- 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 | 0.4328 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 152.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 47.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.158 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Inp | [913.00; 913.00] |
|
|
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Tboil | 422.08 | K | Relay (1.0) Calculated Property |
| Tc | 629.26 | K | Relay (1.0) Calculated Property |
| Tfus | 234.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Propanal, 2-propenylhydrazone.
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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