- InChI
- InChI=1S/C21H37NO5Si2/c1-20(2,3)28(8,9)26-17-13-12-15(22-19(24)25-7)14-16(17)18(23)27-29(10,11)21(4,5)6/h12-14H,1-11H3,(H,22,24)
- InChI Key
- QIMYTVAHLXGCQI-UHFFFAOYSA-N
- Formula
- C21H37NO5Si2
- SMILES
-
COC(=O)Nc1ccc(O[Si](C)(C)C(C)(
C)C)c(C(=O)O[Si](C)(C)C(C)(C)C )c1 - Molecular Weight1
- 439.69
- 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 | 0.9241 | Relay (... Calculated Property | |
| ΔfG° | -301.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1195.25 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.06 | kJ/mol | Relay (... Calculated Property |
| IE | 7.95 | eV | Relay (... Calculated Property |
| log10WS | -4.94 | Relay (... Calculated Property | |
| logPoct/wat | 6.411 | Crippen Calculated Property | |
| Pc | 1204.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2643.00 | NIST | |
| Tboil | 634.25 | K | Relay (... Calculated Property |
| Tc | 917.10 | K | Relay (... Calculated Property |
| Tfus | 396.11 | K | Relay (... Calculated Property |
| Vc | 1.340 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Aminosalicylic acid, ethoxycarbonylated, TBDMS.
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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