- InChI
- InChI=1S/C15H31NO4Si/c1-9-11(3)12(16-14(18)19-10-2)13(17)20-21(7,8)15(4,5)6/h11-12H,9-10H2,1-8H3,(H,16,18)
- InChI Key
- YWBPHOQYHHQYMS-UHFFFAOYSA-N
- Formula
- C15H31NO4Si
- SMILES
-
CCOC(=O)NC(C(=O)O[Si](C)(C)C(C
)(C)C)C(C)CC - Molecular Weight1
- 317.50
- Other Names
-
- Isoleucine, ethoxycarbonylated, 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 | 0.7030 | Relay (1.0) Calculated Property | |
| ΔfG° | -342.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1088.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| Pc | 1486.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1732.00; 1743.00] |
|
|
| Inp | 1743.00 | NIST | |
| Inp | 1732.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Tboil | 544.28 | K | Relay (1.0) Calculated Property |
| Tc | 754.84 | K | Relay (1.0) Calculated Property |
| Tfus | 331.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to allo-Isoleucine, 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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