- InChI
- InChI=1S/C30H61NO6Si3/c1-12-13-16-19-26(35-38(3,4)5)22-23-28(32)27(29(24-25-31-34-2)36-39(6,7)8)20-17-14-15-18-21-30(33)37-40(9,10)11/h14,17,22-23,25-29,32H,12-13,15-16,18-21,24H2,1-11H3/b17-14-,23-22+,31-25?/t26-,27+,28-,29-/m1/s1
- InChI Key
- JFDCRNMLAHRWNH-OOFCMHOJSA-N
- Formula
- C30H61NO6Si3
- SMILES
-
CCCCCC(C=CC(O)C(CC=CCCCC(=O)O[
Si](C)(C)C)C(CC=NOC)O[Si](C)(C )C)O[Si](C)(C)C - Molecular Weight1
- 616.06
- 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 | 1.2016 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1529.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.057 | Crippen Calculated Property | |
| Pc | -490.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2725.00; 2725.00] |
|
|
| Inp | 2725.00 | NIST | |
| Inp | 2725.00 | NIST | |
| Tboil | 694.87 | K | Relay (1.0) Calculated Property |
| Tc | 859.17 | K | Relay (1.0) Calculated Property |
| Tfus | 345.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.938 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thromboxane B2, MO-tris-TMS, minor.
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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