- InChI
- InChI=1S/C24H40N2O6Si/c1-9-11-23(28)25-19-12-13-22(21(14-19)18(5)27)31-16-20(32-33(6,7)8)15-26(17(3)4)24(29)30-10-2/h12-14,17,20H,9-11,15-16H2,1-8H3,(H,25,28)
- InChI Key
- HDMJMPISKBKFMW-UHFFFAOYSA-N
- Formula
- C24H40N2O6Si
- SMILES
-
CCCC(=O)Nc1ccc(OCC(CN(C(=O)OCC
)C(C)C)O[Si](C)(C)C)c(C(C)=O)c 1 - Molecular Weight1
- 480.67
- 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.
- 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 | 1.1122 | Relay (... Calculated Property | |
| ΔfG° | -317.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1258.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.53 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -3.43 | Relay (... Calculated Property | |
| logPoct/wat | 5.094 | Crippen Calculated Property | |
| Pc | 590.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2877.00 | NIST | |
| Tboil | 697.67 | K | Relay (... Calculated Property |
| Tc | 922.36 | K | Relay (... Calculated Property |
| Tfus | 358.30 | K | Relay (... Calculated Property |
| Vc | 1.431 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Acebutolol, N-ethoxycarbonylated, TMS.
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
- NIST Webbook
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