- InChI
- InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3
- InChI Key
- WEUCDJCFJHYFRL-UHFFFAOYSA-N
- Formula
- C19H23ClN2
- SMILES
-
CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc
2)CC1 - Molecular Weight1
- 314.85
- CAS
- 848-53-3
- Other Names
-
- Homochlorcyclizine
- 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).
- 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 | 0.5308 | Relay (1.0) Calculated Property | |
| ΔfG° | 406.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 174.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.067 | Crippen Calculated Property | |
| McVol | 252.390 | ml/mol | McGowan Calculated Property |
| Pc | 1908.32 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 667.88 | K | Relay (1.0) Calculated Property |
| Tc | 916.92 | K | Relay (1.0) Calculated Property |
| Tfus | 371.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-methyl-n'-p-chlorobenzhydryl homopiperazine.
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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