- InChI
- InChI=1S/C15H17NO/c1-2-7-15(8-3-1)17-13-5-4-6-14-9-11-16-12-10-14/h1-3,7-12H,4-6,13H2
- InChI Key
- RJJZWSYLKARLJM-UHFFFAOYSA-N
- Formula
- C15H17NO
- SMILES
- c1ccc(OCCCCc2ccncc2)cc1
- Molecular Weight1
- 227.30
- 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 | 0.6316 | Relay (... Calculated Property | |
| ΔfG° | 210.01 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 25.47 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -3.30 | Relay (... Calculated Property | |
| logPoct/wat | 3.483 | Crippen Calculated Property | |
| McVol | 190.540 | ml/mol | McGowan Calculated Property |
| Pc | 2581.01 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 612.68 | K | Relay (... Calculated Property |
| Tc | 851.37 | K | Relay (... Calculated Property |
| Tfus | 309.91 | K | Relay (... Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![4-[3-(4-Methylphenoxy)propyl]pyridine.](data:image/png;base64,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)
Find more compounds similar to 4-(4-Phenoxybutyl)pyridine.
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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