- InChI
- InChI=1S/C21H30N2O3/c1-4-7-10-14-25-20-16-18(17-11-8-9-12-19(17)22-20)21(24)26-15-13-23(5-2)6-3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3
- InChI Key
- ZTOBHUWFUIMVNU-UHFFFAOYSA-N
- Formula
- C21H30N2O3
- SMILES
-
CCCCCOc1cc(C(=O)OCCN(CC)CC)c2c
cccc2n1 - Molecular Weight1
- 358.47
- 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 | 0.9635 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -494.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.302 | Crippen Calculated Property | |
| McVol | 296.800 | ml/mol | McGowan Calculated Property |
| Pc | 1399.32 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2789.00; 2810.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2810.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 692.07 | K | Relay (1.0) Calculated Property |
| Tc | 913.38 | K | Relay (1.0) Calculated Property |
| Tfus | 298.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.096 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline-4-carboxylic acid, 2-pentyloxy, 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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