- InChI
- InChI=1S/C14H17N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9-11H,2-4,8H2,1H3
- InChI Key
- GMTGCIAJHZEUNB-UHFFFAOYSA-N
- Formula
- C14H17N
- SMILES
- CCCCCc1ccc2ccccc2n1
- Molecular Weight1
- 199.29
- Other Names
-
- 2-Pentylquinoline
- 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.
- I : 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 | 0.5699 | Relay (1.0) Calculated Property | |
| ΔfG° | 258.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 81.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 174.880 | ml/mol | McGowan Calculated Property |
| Pc | 2605.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1650.00; 1664.00] |
|
|
| Inp | 1650.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1664.00 | NIST | |
| I | [2225.00; 2249.00] |
|
|
| I | 2225.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2249.00 | NIST | |
| Tboil | 576.85 | K | Relay (1.0) Calculated Property |
| Tc | 815.02 | K | Relay (1.0) Calculated Property |
| Tfus | 283.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 2-pentyl.
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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