- InChI
- InChI=1S/C21H29NO4Si/c1-21(2,3)27(4,5)26-20(24)19(22)14-15-6-10-17(11-7-15)25-18-12-8-16(23)9-13-18/h6-13,19,23H,14,22H2,1-5H3
- InChI Key
- KNBGCMVLJMQKQR-UHFFFAOYSA-N
- Formula
- C21H29NO4Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)C(N)Cc
1ccc(Oc2ccc(O)cc2)cc1 - Molecular Weight1
- 387.54
- Other Names
-
- tert-Butyl(dimethyl)silyl o-(4-hydroxyphenyl)tyrosinate
- 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 | 0.9329 | Relay (... Calculated Property | |
| ΔfG° | -146.72 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -703.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.90 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -4.32 | Relay (... Calculated Property | |
| logPoct/wat | 4.603 | Crippen Calculated Property | |
| Pc | 1741.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2973.20 | NIST | |
| Tboil | 693.70 | K | Relay (... Calculated Property |
| Tc | 962.86 | K | Relay (... Calculated Property |
| Tfus | 414.76 | K | Relay (... Calculated Property |
| Vc | 1.090 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Thyronine, trimethylsilyl ester.
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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