- InChI
- InChI=1S/C5H9N/c1-2-3-6-4-5-6/h2-3H,4-5H2,1H3/b3-2+
- InChI Key
- BEUWPRGCKSXXRV-NSCUHMNNSA-N
- Formula
- C5H9N
- SMILES
- CC=CN1CC1
- Molecular Weight1
- 83.13
- CAS
- 80839-91-4
- Other Names
-
- (E)-1-Propenylaziridine
- (E)-1-Aziridino-1-propene
- 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).
- 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 | 0.3034 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 124.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 38.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.90; 8.34] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.34 | eV | NIST |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.836 | Crippen Calculated Property | |
| McVol | 76.130 | ml/mol | McGowan Calculated Property |
| Pc | 4556.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 389.90 | K | Relay (1.0) Calculated Property |
| Tc | 572.26 | K | Relay (1.0) Calculated Property |
| Tfus | 206.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.279 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Aziridine, 1-(1-propenyl)-, (E)-.
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
- McGowan Method
- NIST Webbook
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