- InChI
- InChI=1S/C21H38INO3Si2/c1-20(2,3)27(7,8)25-18-12-11-15(13-16(18)22)14-17(23)19(24)26-28(9,10)21(4,5)6/h11-13,17H,14,23H2,1-10H3
- InChI Key
- YLRVDZAFZKQPEX-UHFFFAOYSA-N
- Formula
- C21H38INO3Si2
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)C(N)Cc
1ccc(O[Si](C)(C)C(C)(C)C)c(I)c 1 - Molecular Weight1
- 535.61
- Other Names
-
- 3-Iodo-l-tyrosine, 2tbdms derivative
- 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 | 0.7968 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -788.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.093 | Crippen Calculated Property | |
| Pc | 1144.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2737.10 | NIST | |
| Tboil | 651.78 | K | Relay (1.0) Calculated Property |
| Tc | 918.05 | K | Relay (1.0) Calculated Property |
| Tfus | 400.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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