- InChI
- InChI=1S/C21H38O5Si3/c1-27(2,3)24-17-20(26-29(7,8)9)16-23-21(22)15-12-18-10-13-19(14-11-18)25-28(4,5)6/h10-15,20H,16-17H2,1-9H3/b15-12+
- InChI Key
- XIKYLENERWEDIW-NTCAYCPXSA-N
- Formula
- C21H38O5Si3
- SMILES
-
C[Si](C)(C)OCC(COC(=O)C=Cc1ccc
(O[Si](C)(C)C)cc1)O[Si](C)(C)C - Molecular Weight1
- 454.78
- CAS
- 1048040-87-4
- 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 | 0.8427 | Relay (1.0) Calculated Property | |
| ΔfG° | -306.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1156.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.528 | Crippen Calculated Property | |
| Pc | 456.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2494.60; 2494.60] |
|
|
| Inp | 2494.60 | NIST | |
| Inp | 2494.60 | NIST | |
| Tboil | 655.42 | K | Relay (1.0) Calculated Property |
| Tc | 821.64 | K | Relay (1.0) Calculated Property |
| Tfus | 333.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.418 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-O-trans-p-Coumaroylglycerol, 3TMS.
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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