- InChI
- InChI=1S/C17H35NO4Si/c1-10-13(4)14(18-16(20)21-11-12(2)3)15(19)22-23(8,9)17(5,6)7/h12-14H,10-11H2,1-9H3,(H,18,20)/t13-,14-/m1/s1
- InChI Key
- RZVXLGVTQIGIKL-ZIAGYGMSSA-N
- Formula
- C17H35NO4Si
- SMILES
-
CCC(C)C(NC(=O)OCC(C)C)C(=O)O[S
i](C)(C)C(C)(C)C - Molecular Weight1
- 345.55
- Other Names
-
- Ile, 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 | 0.7629 | Relay (1.0) Calculated Property | |
| ΔfG° | -326.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1141.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.332 | Crippen Calculated Property | |
| Pc | 1323.20 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1880.00; 1880.00] |
|
|
| Inp | 1880.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Tboil | 562.07 | K | Relay (1.0) Calculated Property |
| Tc | 770.23 | K | Relay (1.0) Calculated Property |
| Tfus | 327.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.083 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ile 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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