- InChI
- InChI=1S/C16H21N/c1-3-5-10-15-13(8-4-2)12-14-9-6-7-11-16(14)17-15/h6-7,9,11-12H,3-5,8,10H2,1-2H3
- InChI Key
- CZMKULCCAGNPDG-UHFFFAOYSA-N
- Formula
- C16H21N
- SMILES
- CCCCc1nc2ccccc2cc1CCC
- Molecular Weight1
- 227.34
- 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).
- 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 | 0.6390 | Relay (... Calculated Property | |
| ΔfG° | 250.39 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 36.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -4.63 | Relay (... Calculated Property | |
| logPoct/wat | 4.530 | Crippen Calculated Property | |
| McVol | 203.060 | ml/mol | McGowan Calculated Property |
| Pc | 2130.69 | kPa | Relay (... Calculated Property ⚠️ |
| I | 2329.00 | NIST | |
| Tboil | 598.79 | K | Relay (... Calculated Property |
| Tc | 830.64 | K | Relay (... Calculated Property |
| Tfus | 297.38 | K | Relay (... Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 2-butyl-3-propyl.
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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