- InChI
- InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h3,7H,2,4-6,8-9H2,1H3/b7-3+
- InChI Key
- YBTBLUIZFVXVOK-XVNBXDOJSA-N
- Formula
- C9H17N
- SMILES
- CCC=CN1CCCCC1
- Molecular Weight1
- 139.24
- CAS
- 7182-10-7
- Other Names
-
- 1-(1-Butenyl)piperidine
- (E) 1-Piperidino-1-butene
- 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 | 0.3247 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5887.40 ± 8.20 | kJ/mol | NIST |
| ΔfG° | 204.92 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -61.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -83.70 ± 8.20 | kJ/mol | NIST |
| ΔvapH° | 50.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | NIST |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.396 | Crippen Calculated Property | |
| McVol | 132.490 | ml/mol | McGowan Calculated Property |
| Pc | 2896.74 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 465.48 | K | Relay (1.0) Calculated Property |
| Tc | 669.42 | K | Relay (1.0) Calculated Property |
| Tfus | 232.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.465 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 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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