- InChI
- InChI=1S/C17H22O4Si/c1-7-12-20-15(18)13-10-8-9-11-14(13)16(19)21-22(5,6)17(2,3)4/h1,8-11H,12H2,2-6H3
- InChI Key
- QNVBAIAHWLUCDM-UHFFFAOYSA-N
- Formula
- C17H22O4Si
- SMILES
-
C#CCOC(=O)c1ccccc1C(=O)O[Si](C
)(C)C(C)(C)C - Molecular Weight1
- 318.44
- Other Names
-
- 1,2-Benzenedicarboxylic acid, prop-2-ynyl tert-butyldimethylsilyl ester
- 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 | 0.6848 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -602.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.639 | Crippen Calculated Property | |
| Pc | 1589.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1974.00 | NIST | |
| Tboil | 613.66 | K | Relay (1.0) Calculated Property |
| Tc | 830.51 | K | Relay (1.0) Calculated Property |
| Tfus | 326.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl prop-2-ynyl phthalate.
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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