- InChI
- InChI=1S/C25H44O8Si4/c1-34(2,3)30-20-16-13-19(14-17-20)15-18-21(26)29-22(24(27)32-36(7,8)9)23(31-35(4,5)6)25(28)33-37(10,11)12/h13-18,22-23H,1-12H3/b18-15-
- InChI Key
- UXTFDOZFZVLZAV-SDXDJHTJSA-N
- Formula
- C25H44O8Si4
- SMILES
-
C[Si](C)(C)OC(=O)C(OC(=O)C=Cc1
ccc(O[Si](C)(C)C)cc1)C(O[Si](C )(C)C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 584.95
- 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 | 0.9942 | Relay (1.0) Calculated Property | |
| ΔfG° | -682.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1817.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.802 | Crippen Calculated Property | |
| Inp | [2578.80; 2578.80] |
|
|
| Inp | 2578.80 | NIST | |
| Inp | 2578.80 | NIST | |
| Tboil | 667.16 | K | Relay (1.0) Calculated Property |
| Tc | 857.94 | K | Relay (1.0) Calculated Property |
| Tfus | 369.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.757 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-Coutaric acid, 4TMS.
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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