- InChI
- InChI=1S/C18H28N2O4/c1-4-7-14(18(23)24-3)19-11(2)16(21)20-13-9-6-5-8-12(13)10-15(20)17(19)22/h11-15H,4-10H2,1-3H3/t11-,12-,13-,14?,15?/m0/s1
- InChI Key
- RYNZKGIBSLIAFS-MFTHNPBUSA-N
- Formula
- C18H28N2O4
- SMILES
-
CCCC(C(=O)OC)N1C(=O)C2CC3CCCCC
3N2C(=O)C1C - Molecular Weight1
- 336.43
- 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 | 0.6585 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -761.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.719 | Crippen Calculated Property | |
| McVol | 262.440 | ml/mol | McGowan Calculated Property |
| Pc | 1113.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2560.00 | NIST | |
| Tboil | 638.70 | K | Relay (1.0) Calculated Property |
| Tc | 921.04 | K | Relay (1.0) Calculated Property |
| Tfus | 389.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Perindopril desethyl - H2) Me (Perindoprilate - H2O 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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