- InChI
- InChI=1S/C14H17N/c1-3-4-8-13-11(2)10-12-7-5-6-9-14(12)15-13/h5-7,9-10H,3-4,8H2,1-2H3
- InChI Key
- VVRRMVOHADLIPW-UHFFFAOYSA-N
- Formula
- C14H17N
- SMILES
- CCCCc1nc2ccccc2cc1C
- Molecular Weight1
- 199.29
- CAS
- 1531-62-0
- 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 | 0.5500 | Relay (... Calculated Property | |
| ΔfG° | 245.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 84.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -3.66 | Relay (... Calculated Property | |
| logPoct/wat | 3.886 | Crippen Calculated Property | |
| McVol | 174.880 | ml/mol | McGowan Calculated Property |
| Pc | 2527.56 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1803.00 | NIST | |
| Tboil | 575.15 | K | Relay (... Calculated Property |
| Tc | 815.00 | K | Relay (... Calculated Property |
| Tfus | 291.71 | K | Relay (... Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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)
Find more compounds similar to Quinoline, 2-butyl-3-methyl-.
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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