- InChI
- InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2
- InChI Key
- ADRDEXBBJTUCND-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- C1CC2CCCN2C1
- Molecular Weight1
- 111.18
- CAS
- 643-20-9
- Other Names
-
- Hexahydropyrrolizine
- Pyrrolizidine
- 1-Azabicyclo[3.3.0]octane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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 | 0.3037 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4564.20 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 150.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -3.90 | kJ/mol | NIST |
| ΔfH°liquid | -48.30 ± 3.10 | kJ/mol | NIST |
| ΔvapH° | [44.40; 44.40] | kJ/mol |
|
| ΔvapH° | 44.40 | kJ/mol | NIST |
| ΔvapH° | 44.40 | kJ/mol | NIST |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.245 | Crippen Calculated Property | |
| McVol | 97.750 | ml/mol | McGowan Calculated Property |
| Pc | 3874.19 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 411.00 | K | Relay (1.0) Calculated Property |
| Tc | 656.80 | K | Relay (1.0) Calculated Property |
| Tfus | 268.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrolizine, hexahydro-.
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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