- InChI
- InChI=1S/C25H30N2O5/c1-3-32-25(30)21(15-13-18-9-5-4-6-10-18)26-20-16-14-19-11-7-8-12-22(19)27(24(20)29)17-23(28)31-2/h4-12,20-21,26H,3,13-17H2,1-2H3/t20-,21-/m1/s1
- InChI Key
- NQJYCOHSACSXSO-NHCUHLMSSA-N
- Formula
- C25H30N2O5
- SMILES
-
CCOC(=O)C(CCc1ccccc1)NC1CCc2cc
ccc2N(CC(=O)OC)C1=O - Molecular Weight1
- 438.52
- 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 | 0.9287 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -688.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 341.140 | ml/mol | McGowan Calculated Property |
| Pc | 864.04 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3030.00; 3030.00] |
|
|
| Inp | 3030.00 | NIST | |
| Inp | 3030.00 | NIST | |
| Tboil | 752.17 | K | Relay (1.0) Calculated Property |
| Tc | 1040.59 | K | Relay (1.0) Calculated Property |
| Tfus | 392.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.196 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benazepril Me.
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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