![Butanoic acid, 4,4'-dithiobis[2-[(trimethylsilyl)amino]-, bis(trimethylsilyl) ester, [S-(R*,R*)]-](/cid/120-000-7/Butanoic-acid-4-4-dithiobis-2-trimethylsilyl-amino-bis-trimethylsilyl-ester-S-R-R.png "Butanoic acid, 4,4'-dithiobis[2-[(trimethylsilyl)amino]-, bis(trimethylsilyl) ester, [S-(R*,R*)]-")
- InChI
- InChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3
- InChI Key
- VVODJOVRLCDBOE-UHFFFAOYSA-N
- Formula
- C20H48N2O4S2Si4
- SMILES
-
C[Si](C)(C)NC(CCSSCCC(N[Si](C)
(C)C)C(=O)O[Si](C)(C)C)C(=O)O[ Si](C)(C)C - Molecular Weight1
- 557.08
- CAS
- 69688-45-5
- Other Names
-
- L-Homocystine, N,N'-bis(trimethylsilyl)-, bis(trimethylsilyl) ester
- L-homocystine, [s-(r*,r*)]-, 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.
- 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 | 0.9148 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1329.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.490 | Crippen Calculated Property | |
| Inp | [2512.40; 2577.00] |
|
|
| Inp | 2512.40 | NIST | |
| Inp | 2577.00 | NIST | |
| Inp | 2577.00 | NIST | |
| Inp | 2512.40 | NIST | |
| Tboil | 648.65 | K | Relay (1.0) Calculated Property |
| Tc | 841.21 | K | Relay (1.0) Calculated Property |
| Tfus | 325.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.698 | 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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