- InChI
- InChI=1S/C17H28N2O2SSi2/c1-19-16(21-24(5,6)7)15(18-17(19)22)12-13-8-10-14(11-9-13)20-23(2,3)4/h8-11H,12H2,1-7H3,(H,18,22)
- InChI Key
- MZLMUYFDCGMWRO-UHFFFAOYSA-N
- Formula
- C17H28N2O2SSi2
- SMILES
-
Cn1c(O[Si](C)(C)C)c(Cc2ccc(O[S
i](C)(C)C)cc2)[nH]c1=S - Molecular Weight1
- 380.65
- 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 | 0.7633 | Relay (1.0) Calculated Property | |
| ΔfG° | 117.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -465.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.619 | Crippen Calculated Property | |
| Pc | 890.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2343.00; 2343.00] |
|
|
| Inp | 2343.00 | NIST | |
| Inp | 2343.00 | NIST | |
| Tboil | 660.87 | K | Relay (1.0) Calculated Property |
| Tc | 917.18 | K | Relay (1.0) Calculated Property |
| Tfus | 387.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.144 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Tyrosine, MTH-TMS.
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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