- InChI
- InChI=1S/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3
- InChI Key
- FAQVGPWFQGGIPP-UHFFFAOYSA-N
- Formula
- C13H15N
- SMILES
- CC(C)Cc1ccc2ccccc2n1
- Molecular Weight1
- 185.26
- CAS
- 93-19-6
- Other Names
-
- Quinoline, 2-isobutyl-
- 2-Isobutylquinoline
- «alpha»-Isobutylquinoline
- 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 | 0.4906 | Relay (... Calculated Property | |
| ΔfG° | 241.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 86.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.17 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -3.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.433 | Crippen Calculated Property | |
| McVol | 160.790 | ml/mol | McGowan Calculated Property |
| Pc | 2804.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1501.00; 1515.00] |
|
|
| Inp | 1501.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1501.00 | NIST | |
| I | [2048.00; 2077.00] |
|
|
| I | 2048.00 | NIST | |
| I | 2077.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2077.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2077.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2077.00 | NIST | |
| Tboil | 551.59 | K | Relay (... Calculated Property |
| Tc | 801.14 | K | Relay (... Calculated Property |
| Tfus | 292.58 | K | Relay (... Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 2-(2-methylpropyl)-.
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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