- InChI
- InChI=1S/C17H28O4Si2/c1-8-17(14-12-10-9-11-13-14,15(18)20-22(2,3)4)16(19)21-23(5,6)7/h9-13H,8H2,1-7H3
- InChI Key
- XZKIYKRYUAODMJ-UHFFFAOYSA-N
- Formula
- C17H28O4Si2
- SMILES
-
CCC(C(=O)O[Si](C)(C)C)(C(=O)O[
Si](C)(C)C)c1ccccc1 - Molecular Weight1
- 352.57
- CAS
- 55517-51-6
- Other Names
-
- Phenylethylmalonic acid, di-TMS
- 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 | 0.6628 | Relay (1.0) Calculated Property | |
| ΔfG° | -334.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -956.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.091 | Crippen Calculated Property | |
| Pc | 941.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1700.00; 1725.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 580.45 | K | Relay (1.0) Calculated Property |
| Tc | 789.33 | K | Relay (1.0) Calculated Property |
| Tfus | 353.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.088 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylethylmalonic acid, bis(trimethylsilyl) ester.
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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