![1-Azabicyclo[3.1.0]hexane](/cid/77-707-2/1-Azabicyclo-3-1-0-hexane.png "1-Azabicyclo[3.1.0]hexane")
- InChI
- InChI=1S/C5H9N/c1-2-5-4-6(5)3-1/h5H,1-4H2
- InChI Key
- QRDSDKAGXMWBID-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- C1CC2CN2C1
- Molecular Weight1
- 83.13
- CAS
- 285-76-7
- 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 | 0.2993 | Relay (1.0) Calculated Property | |
| ΔfG° | 134.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 130.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 37.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.464 | Crippen Calculated Property | |
| McVol | 69.570 | ml/mol | McGowan Calculated Property |
| Pc | 4727.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 381.50 ± 1.50 | K | NIST |
| Tc | 602.93 | K | Relay (1.0) Calculated Property |
| Tfus | 254.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.260 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Azabicyclo[3.1.0]hexane.
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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