- InChI
- InChI=1S/C12H17N/c1-3-5-7-12-10-13-9-8-11(12)6-4-2/h5,7-10H,3-4,6H2,1-2H3/b7-5-
- InChI Key
- MUYDOEGEMIQLND-ALCCZGGFSA-N
- Formula
- C12H17N
- SMILES
- CCC=Cc1cnccc1CCC
- Molecular Weight1
- 175.27
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4553 | Relay (1.0) Calculated Property | |
| ΔfG° | 240.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 51.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.457 | Crippen Calculated Property | |
| McVol | 161.860 | ml/mol | McGowan Calculated Property |
| Pc | 2629.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1383.00; 1388.00] |
|
|
| Inp | 1383.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Tboil | 530.06 | K | Relay (1.0) Calculated Property |
| Tc | 739.07 | K | Relay (1.0) Calculated Property |
| Tfus | 269.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 3-(1-buten-1-yl)-4-propyl, (Z)-.
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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