- InChI
- InChI=1S/C19H19NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8-9,11-13H,7,10H2,1-2H3
- InChI Key
- OXJATSFPAYFXMW-UHFFFAOYSA-N
- Formula
- C19H19NO2
- SMILES
- COc1ccc(CCc2ccc3ccccc3n2)cc1OC
- Molecular Weight1
- 293.36
- 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 | 0.7407 | Relay (... Calculated Property | |
| ΔfG° | 189.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -26.47 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.53 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 4.037 | Crippen Calculated Property | |
| McVol | 233.310 | ml/mol | McGowan Calculated Property |
| Pc | 2155.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2568.00 | NIST | |
| Tboil | 689.71 | K | Relay (... Calculated Property |
| Tc | 960.56 | K | Relay (... Calculated Property |
| Tfus | 379.57 | K | Relay (... Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(3',4'-Dimethoxyphenylethyl)quinoline.
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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