- InChI
- InChI=1S/C15H20O2Si/c1-15(2,3)18(4,5)17-14(16)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3
- InChI Key
- VGXJNGONHYFIAL-UHFFFAOYSA-N
- Formula
- C15H20O2Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)C#Cc1c
cccc1 - Molecular Weight1
- 260.40
- Other Names
-
- Phenylpropiolic acid, TBDMS
- 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 | 0.4804 | Relay (... Calculated Property | |
| ΔfG° | 104.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -265.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 73.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -3.95 | Relay (... Calculated Property | |
| logPoct/wat | 3.586 | Crippen Calculated Property | |
| Pc | 2048.75 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1772.00; 1775.00] |
|
|
| Inp | 1772.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Tboil | 552.89 | K | Relay (... Calculated Property |
| Tc | 771.52 | K | Relay (... Calculated Property |
| Tfus | 358.92 | K | Relay (... Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phenylpropiolic acid, DMTBS.
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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