- InChI
- InChI=1S/C16H33NO4Si/c1-11(2)10-20-15(19)17-13(12(3)4)14(18)21-22(8,9)16(5,6)7/h11-13H,10H2,1-9H3,(H,17,19)
- InChI Key
- NNBIYBVBBDIGMK-UHFFFAOYSA-N
- Formula
- C16H33NO4Si
- SMILES
-
CC(C)COC(=O)NC(C(=O)O[Si](C)(C
)C(C)(C)C)C(C)C - Molecular Weight1
- 331.52
- Other Names
-
- Val, 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 | 0.7398 | Relay (... Calculated Property | |
| ΔfG° | -333.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1111.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -3.67 | Relay (... Calculated Property | |
| logPoct/wat | 3.942 | Crippen Calculated Property | |
| Pc | 1395.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1800.00; 1800.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 549.29 | K | Relay (... Calculated Property |
| Tc | 760.87 | K | Relay (... Calculated Property |
| Tfus | 340.41 | K | Relay (... Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Val 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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