- InChI
- InChI=1S/C19H46N2O4SSi4/c1-27(2,3)20-16(18(22)24-29(7,8)9)13-14-26-15-17(21-28(4,5)6)19(23)25-30(10,11)12/h16-17,20-21H,13-15H2,1-12H3
- InChI Key
- UCHYCIWAEYBTEB-UHFFFAOYSA-N
- Formula
- C19H46N2O4SSi4
- SMILES
-
C[Si](C)(C)NC(CCSCC(N[Si](C)(C
)C)C(=O)O[Si](C)(C)C)C(=O)O[Si ](C)(C)C - Molecular Weight1
- 510.99
- Other Names
-
- CYSTATHIONINE,N,N,O,O-TMS
- Cystathionine, TMS
- Cystathionine, 4tms 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 | 0.8653 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1328.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.452 | Crippen Calculated Property | |
| Pc | 94.76 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2207.90; 2235.00] |
|
|
| Inp | 2207.90 | NIST | |
| Inp | 2235.00 | NIST | |
| Tboil | 612.13 | K | Relay (1.0) Calculated Property |
| Tc | 817.14 | K | Relay (1.0) Calculated Property |
| Tfus | 317.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.606 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Cystathionine tetra-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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