- InChI
- InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
- InChI Key
- WRPFPNIHTOSMKU-UHFFFAOYSA-N
- Formula
- C23H30N2O
- SMILES
-
CC(C)C(=O)N(c1ccccc1)C1CCN(CCc
2ccccc2)CC1 - Molecular Weight1
- 350.50
- 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 | 0.7210 | Relay (1.0) Calculated Property | |
| ΔfG° | 367.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -27.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.383 | Crippen Calculated Property | |
| McVol | 298.080 | ml/mol | McGowan Calculated Property |
| Pc | 1138.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2803.00 | NIST | |
| Tboil | 677.29 | K | Relay (1.0) Calculated Property |
| Tc | 952.74 | K | Relay (1.0) Calculated Property |
| Tfus | 390.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | 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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