- InChI
- InChI=1S/C22H32N2O3/c1-4-7-8-11-15-26-21-17-19(18-12-9-10-13-20(18)23-21)22(25)27-16-14-24(5-2)6-3/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3
- InChI Key
- JHWSTGYIEBQFJA-UHFFFAOYSA-N
- Formula
- C22H32N2O3
- SMILES
-
CCCCCCOc1cc(C(=O)OCCN(CC)CC)c2
ccccc2n1 - Molecular Weight1
- 372.50
- 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 | 1.0028 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -517.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.692 | Crippen Calculated Property | |
| McVol | 310.890 | ml/mol | McGowan Calculated Property |
| Pc | 1300.56 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2885.00; 2909.00] |
|
|
| Inp | 2885.00 | NIST | |
| Inp | 2909.00 | NIST | |
| Tboil | 699.65 | K | Relay (1.0) Calculated Property |
| Tc | 920.51 | K | Relay (1.0) Calculated Property |
| Tfus | 298.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline-4-carboxylic acid, 2-hexyloxy, 2-(diethylaminoethyl)amide.
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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