- InChI
- InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/b6-3+
- InChI Key
- GQCQSPFOXSSUEG-ZZXKWVIFSA-N
- Formula
- C8H15N
- SMILES
- CCC=CN1CCCC1
- Molecular Weight1
- 125.21
- CAS
- 13937-89-8
- Other Names
-
- 1-(1-Butenyl)pyrrolidine
- 1-(1-Pyrrolidinyl)-1-butene
- 1-Pyrrolidino-1-butene
- (E)-1-Pyrrolidino-1-butene
- 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 | 0.3270 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -35.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 47.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.70; 7.24] | eV |
|
| IE | 6.70 | eV | NIST |
| IE | 7.24 | eV | NIST |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.006 | Crippen Calculated Property | |
| McVol | 118.400 | ml/mol | McGowan Calculated Property |
| Pc | 3142.36 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 445.48 | K | Relay (1.0) Calculated Property |
| Tc | 643.87 | K | Relay (1.0) Calculated Property |
| Tfus | 212.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-(1-butenyl)-.
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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