- InChI
- InChI=1S/C21H47NO4Si2/c1-18(2)17-24-19(23)22(13-15-25-27(9,10)20(3,4)5)14-16-26-28(11,12)21(6,7)8/h18H,13-17H2,1-12H3
- InChI Key
- LLQVEJVRRLNCCK-UHFFFAOYSA-N
- Formula
- C21H47NO4Si2
- SMILES
-
CC(C)COC(=O)N(CCO[Si](C)(C)C(C
)(C)C)CCO[Si](C)(C)C(C)(C)C - Molecular Weight1
- 433.77
- Other Names
-
- Diethanolamine, N-isoBOC, O-TBDMS, # 2
- 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 | 0.8701 | Relay (... Calculated Property | |
| ΔfG° | -183.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1185.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.30 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -3.25 | Relay (... Calculated Property | |
| logPoct/wat | 6.125 | Crippen Calculated Property | |
| Pc | 952.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 617.65 | K | Relay (... Calculated Property |
| Tc | 808.85 | K | Relay (... Calculated Property |
| Tfus | 308.02 | K | Relay (... Calculated Property |
| Vc | 1.475 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to bis O-TBDMS derivative of N-isoBOC diethanolamine.
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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