- InChI
- InChI=1S/C6H11N/c1-2-3-4-7-5-6-7/h3-4H,2,5-6H2,1H3/b4-3+
- InChI Key
- ZOJXHLVIYWZLQK-ONEGZZNKSA-N
- Formula
- C6H11N
- SMILES
- CCC=CN1CC1
- Molecular Weight1
- 97.16
- CAS
- 80839-92-5
- Other Names
-
- (E)-1-(1-Butenyl)aziridine
- (E)-1-Aziridino-1-butene
- 1-[(1E)-1-Butenyl]aziridine
- 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 | 0.3216 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 68.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.70; 8.26] | eV |
|
| IE | 7.70 | eV | NIST |
| IE | 7.70 | eV | NIST |
| IE | 8.26 | eV | NIST |
| IE | 8.26 | eV | NIST |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.226 | Crippen Calculated Property | |
| McVol | 90.220 | ml/mol | McGowan Calculated Property |
| Pc | 3813.37 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 406.67 | K | Relay (1.0) Calculated Property |
| Tc | 584.16 | K | Relay (1.0) Calculated Property |
| Tfus | 199.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Aziridine, 1-(1-butenyl)-, (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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