- InChI
- InChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h5H,3-4H2,1-2H3
- InChI Key
- SUPYAXZORIMKIB-UHFFFAOYSA-N
- Formula
- C6H11N
- SMILES
- CC(C)=CN1CC1
- Molecular Weight1
- 97.16
- CAS
- 80839-93-6
- Other Names
-
- 1-(2-Methylpropenyl)aziridine
- 1-Aziridinoisobutene
- 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 | 0.3342 | Relay (1.0) Calculated Property | |
| ΔfG° | 159.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 76.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.60; 8.20] | eV |
|
| IE | 7.60 | eV | NIST |
| IE | 7.60 | eV | NIST |
| IE | 8.20 | eV | NIST |
| IE | 8.20 | eV | NIST |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.226 | Crippen Calculated Property | |
| McVol | 90.220 | ml/mol | McGowan Calculated Property |
| Pc | 3807.02 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 410.86 | K | Relay (1.0) Calculated Property |
| Tc | 599.63 | K | Relay (1.0) Calculated Property |
| Tfus | 195.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Aziridine, 1-(2-methyl-1-propenyl)-.
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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