- InChI
- InChI=1S/C20H34N2O5/c1-6-9-16(19(24)26-4)21(3)13(2)18(23)22-15-11-8-7-10-14(15)12-17(22)20(25)27-5/h13-17H,6-12H2,1-5H3/t13-,14+,15+,16?,17-/m0/s1
- InChI Key
- CDYBMFZIDHTPCH-JLXZJAHCSA-N
- Formula
- C20H34N2O5
- SMILES
-
CCCC(C(=O)OC)N(C)C(C)C(=O)N1C(
C(=O)OC)CC2CCCCC21 - Molecular Weight1
- 382.49
- 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 | 0.7417 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -973.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.981 | Crippen Calculated Property | |
| McVol | 307.350 | ml/mol | McGowan Calculated Property |
| Pc | 1024.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2470.00 | NIST | |
| Tboil | 639.39 | K | Relay (1.0) Calculated Property |
| Tc | 885.29 | K | Relay (1.0) Calculated Property |
| Tfus | 381.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Perindopril desethyl 3Me (Perindoprilate 3Me).
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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