- InChI
- InChI=1S/C22H36O4Si/c1-8-9-10-11-14-17(2)25-20(23)18-15-12-13-16-19(18)21(24)26-27(6,7)22(3,4)5/h12-13,15-17H,8-11,14H2,1-7H3
- InChI Key
- MKWZNYAQTHTJDZ-UHFFFAOYSA-N
- Formula
- C22H36O4Si
- SMILES
-
CCCCCCC(C)OC(=O)c1ccccc1C(=O)O
[Si](C)(C)C(C)(C)C - Molecular Weight1
- 392.60
- Other Names
-
- 1,2-Benzenedicarboxylic acid, octan-2-yl 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 | 0.9095 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -980.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.364 | Crippen Calculated Property | |
| Pc | 951.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2353.00 | NIST | |
| Tboil | 622.51 | K | Relay (1.0) Calculated Property |
| Tc | 846.58 | K | Relay (1.0) Calculated Property |
| Tfus | 281.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl octan-2-yl 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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