- InChI
- InChI=1S/C38H76O6Si3/c1-17-18-21-24-30(42-45(11,12)36(2,3)4)27-28-32-31(33(29-35(40)41-32)43-46(13,14)37(5,6)7)25-22-19-20-23-26-34(39)44-47(15,16)38(8,9)10/h19,22,27-28,30-33,35,40H,17-18,20-21,23-26,29H2,1-16H3/b22-19-,28-27+/t30-,31+,32+,33-,35?/m1/s1
- InChI Key
- XQRPEYGADDUWES-UCIIDGISSA-N
- Formula
- C38H76O6Si3
- SMILES
-
CCCCCC(C=CC1OC(O)CC(O[Si](C)(C
)C(C)(C)C)C1CC=CCCCC(=O)O[Si]( C)(C)C(C)(C)C)O[Si](C)(C)C(C)( C)C - Molecular Weight1
- 713.26
- 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 | 1.1826 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1813.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.292 | Crippen Calculated Property | |
| Inp | 3405.00 | NIST | |
| Tboil | 745.96 | K | Relay (1.0) Calculated Property |
| Tc | 981.26 | K | Relay (1.0) Calculated Property |
| Tfus | 372.82 | K | Relay (1.0) Calculated Property |
| Vc | 2.325 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thromboxane B2, tris-TBDMS.
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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