- InChI
- InChI=1S/C8H15N/c1-8(2)7-9-5-3-4-6-9/h7H,3-6H2,1-2H3
- InChI Key
- PAXNHQZTZQFBPC-UHFFFAOYSA-N
- Formula
- C8H15N
- SMILES
- CC(C)=CN1CCCC1
- Molecular Weight1
- 125.21
- CAS
- 2403-57-8
- Other Names
-
- Pyrrolidine, 1-(2-methylpropenyl)-
- Isobutyraldehyde pyrrolidine enamine
- N-(2-Methyl-1-propenyl)pyrrolidine
- N-Isobutenylpyrrolidine
- 1-(2-Methyl-1-propenyl)pyrrolidine
- 1-(2-Methylpropenyl)pyrrolidine
- 1-Pyrrolidino-2-methylpropene
- 1-Pyrrolidinoisobutene
- 2-Methyl-1-pyrrolidinopropene
- 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 | 0.3446 | Relay (... Calculated Property | |
| ΔfG° | 177.37 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -36.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 46.15 | kJ/mol | Relay (... Calculated Property |
| IE | [6.80; 7.75] | eV |
|
| IE | 6.80 | eV | NIST |
| IE | 7.75 | eV | NIST |
| IE | 7.66 ± 0.03 | eV | NIST |
| log10WS | -1.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.006 | Crippen Calculated Property | |
| McVol | 118.400 | ml/mol | McGowan Calculated Property |
| Pc | 3180.59 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 449.57 | K | Relay (... Calculated Property |
| Tc | 658.04 | K | Relay (... Calculated Property |
| Tfus | 204.40 | K | Relay (... Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 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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