- InChI
- InChI=1S/C12H17N/c1-3-5-7-11-8-9-12(6-4-2)13-10-11/h5,7-10H,3-4,6H2,1-2H3/b7-5-
- InChI Key
- GWULIICMARXNCH-ALCCZGGFSA-N
- Formula
- C12H17N
- SMILES
- CCC=Cc1ccc(CCC)nc1
- 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 | 0.4703 | Relay (... Calculated Property | |
| ΔfG° | 231.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 46.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -2.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.457 | Crippen Calculated Property | |
| McVol | 161.860 | ml/mol | McGowan Calculated Property |
| Pc | 2639.54 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1378.00; 1379.00] |
|
|
| Inp | 1378.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Tboil | 522.78 | K | Relay (... Calculated Property |
| Tc | 729.08 | K | Relay (... Calculated Property |
| Tfus | 266.45 | K | Relay (... Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 5-(1-buten-1-yl)-2-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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