- InChI
- InChI=1S/C21H28N2O4/c1-14(2)23(16(4)25)13-19(27-17(5)26)10-9-18-7-6-8-21-20(18)11-12-22(21)15(3)24/h6-8,11-12,14,19H,9-10,13H2,1-5H3
- InChI Key
- JOQPPRNDHFGXLN-UHFFFAOYSA-N
- Formula
- C21H28N2O4
- SMILES
-
CC(=O)OC(CCc1cccc2c1ccn2C(C)=O
)CN(C(C)=O)C(C)C - Molecular Weight1
- 372.46
- 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 | 0.9060 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -704.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.423 | Crippen Calculated Property | |
| McVol | 298.370 | ml/mol | McGowan Calculated Property |
| Pc | 1290.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 680.21 | K | Relay (1.0) Calculated Property |
| Tc | 940.91 | K | Relay (1.0) Calculated Property |
| Tfus | 383.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.085 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mepindolol, acetylated.
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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