- InChI
- InChI=1S/C23H30N2O2/c1-3-23(26)25(20-9-11-22(27-2)12-10-20)21-14-17-24(18-15-21)16-13-19-7-5-4-6-8-19/h4-12,21H,3,13-18H2,1-2H3
- InChI Key
- QKQAUPIOVFHVJI-UHFFFAOYSA-N
- Formula
- C23H30N2O2
- SMILES
-
CCC(=O)N(c1ccc(OC)cc1)C1CCN(CC
c2ccccc2)CC1 - Molecular Weight1
- 366.50
- 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 | 0.8147 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -151.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.145 | Crippen Calculated Property | |
| McVol | 303.950 | ml/mol | McGowan Calculated Property |
| Pc | 1145.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3033.00 | NIST | |
| Tboil | 707.37 | K | Relay (1.0) Calculated Property |
| Tc | 965.62 | K | Relay (1.0) Calculated Property |
| Tfus | 397.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.083 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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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