- InChI
- InChI=1S/C21H43NO6Si2/c1-15(2)14-26-19(25)22-16(18(24)28-30(11,12)21(6,7)8)13-17(23)27-29(9,10)20(3,4)5/h15-16H,13-14H2,1-12H3,(H,22,25)
- InChI Key
- FLEOXMHDPBHKEY-UHFFFAOYSA-N
- Formula
- C21H43NO6Si2
- SMILES
-
CC(C)COC(=O)NC(CC(=O)O[Si](C)(
C)C(C)(C)C)C(=O)O[Si](C)(C)C(C )(C)C - Molecular Weight1
- 461.74
- Other Names
-
- Asp, N-isoBOC TBDMS
- 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 | 0.9159 | Relay (... Calculated Property | |
| ΔfG° | -499.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1598.89 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -4.47 | Relay (... Calculated Property | |
| logPoct/wat | 5.224 | Crippen Calculated Property | |
| Pc | 979.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2299.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 599.02 | K | Relay (... Calculated Property |
| Tc | 832.61 | K | Relay (... Calculated Property |
| Tfus | 359.39 | K | Relay (... Calculated Property |
| Vc | 1.452 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Asp isoBOC 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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