- InChI
- InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
- InChI Key
- VUFOCTSXHUWGPW-UHFFFAOYSA-N
- Formula
- C23H31ClN2O3
- SMILES
-
OCCOCCOCCN1CCN(C(c2ccccc2)c2cc
c(Cl)cc2)CC1 - Molecular Weight1
- 418.96
- CAS
- 17692-34-1
- Other Names
-
- Etodroxine
- 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 | 1.0229 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -316.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.073 | Crippen Calculated Property | |
| McVol | 326.360 | ml/mol | McGowan Calculated Property |
| Pc | 1372.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3175.00; 3180.00] |
|
|
| Inp | 3180.00 | NIST | |
| Inp | 3175.00 | NIST | |
| Inp | 3175.00 | NIST | |
| Tboil | 750.64 | K | Relay (1.0) Calculated Property |
| Tc | 1002.76 | K | Relay (1.0) Calculated Property |
| Tfus | 339.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Etodroxizine.
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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