- InChI
- InChI=1S/C8H9N/c1-2-4-8(5-3-1)9-6-7-9/h1-5H,6-7H2
- InChI Key
- YKNKBBMRKMLLJS-UHFFFAOYSA-N
- Formula
- C8H9N
- SMILES
- c1ccc(N2CC2)cc1
- Molecular Weight1
- 119.16
- CAS
- 696-18-4
- Other Names
-
- N-Phenylaziridine
- N-Phenylethylenimine
- 1-Phenylaziridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3863 | Relay (1.0) Calculated Property | |
| PAff | 926.50 | kJ/mol | NIST |
| BasG | 895.70 | kJ/mol | NIST |
| ΔfG° | 238.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 219.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.00; 8.19] | eV |
|
| IE | 8.00 ± 0.10 | eV | NIST |
| IE | 8.00 | eV | NIST |
| IE | 8.19 ± 0.06 | eV | NIST |
| IE | 8.10 | eV | NIST |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.507 | Crippen Calculated Property | |
| McVol | 98.940 | ml/mol | McGowan Calculated Property |
| Pc | 4234.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 480.62 | K | Relay (1.0) Calculated Property |
| Tc | 705.49 | K | Relay (1.0) Calculated Property |
| Tfus | 284.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Aziridine, 1-phenyl-.
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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