- InChI
- InChI=1S/C21H45NO4SSi2/c1-16(2)15-25-19(24)22-17(13-14-27-29(11,12)21(6,7)8)18(23)26-28(9,10)20(3,4)5/h16-17H,13-15H2,1-12H3,(H,22,24)
- InChI Key
- YWXPPBCWUMEYOE-UHFFFAOYSA-N
- Formula
- C21H45NO4SSi2
- SMILES
-
CC(C)COC(=O)NC(CCS[Si](C)(C)C(
C)(C)C)C(=O)O[Si](C)(C)C(C)(C) C - Molecular Weight1
- 463.82
- 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 | 0.8474 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1246.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.414 | Crippen Calculated Property | |
| Pc | 971.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2532.00 | NIST | |
| Tboil | 616.03 | K | Relay (1.0) Calculated Property |
| Tc | 847.15 | K | Relay (1.0) Calculated Property |
| Tfus | 346.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.451 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hcys, N-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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