- InChI
- InChI=1S/C32H65NO6Si3/c1-12-14-17-20-28(37-40(3,4)5)23-24-30(34)29(21-18-15-16-19-22-32(35)39-42(9,10)11)31(38-41(6,7)8)25-26-33-36-27-13-2/h15,18,23-24,26,28-31,34H,12-14,16-17,19-22,25,27H2,1-11H3/b18-15-,24-23+,33-26?/t28-,29+,30-,31-/m1/s1
- InChI Key
- PVHUSWRYYFBOLJ-KOIMQEJUSA-N
- Formula
- C32H65NO6Si3
- SMILES
-
CCCCCC(C=CC(O)C(CC=CCCCC(=O)O[
Si](C)(C)C)C(CC=NOCCC)O[Si](C) (C)C)O[Si](C)(C)C - Molecular Weight1
- 644.12
- 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 | 1.2757 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1581.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.837 | Crippen Calculated Property | |
| Pc | -541.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2920.00; 2920.00] |
|
|
| Inp | 2920.00 | NIST | |
| Inp | 2920.00 | NIST | |
| Tboil | 713.80 | K | Relay (1.0) Calculated Property |
| Tc | 870.26 | K | Relay (1.0) Calculated Property |
| Tfus | 330.30 | K | Relay (1.0) Calculated Property |
| Vc | 2.050 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thromboxane B2, propyloxime-tris-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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