- InChI
- InChI=1S/C22H35ClO4Si/c1-22(2,3)28(4,5)27-21(25)19-15-11-10-14-18(19)20(24)26-17-13-9-7-6-8-12-16-23/h10-11,14-15H,6-9,12-13,16-17H2,1-5H3
- InChI Key
- VPMKCWDDCUSVRG-UHFFFAOYSA-N
- Formula
- C22H35ClO4Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
c1C(=O)OCCCCCCCCCl - Molecular Weight1
- 427.05
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 8-chlorooctyl 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 | 1.0074 | Relay (1.0) Calculated Property | |
| ΔfG° | -284.25 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -994.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.585 | Crippen Calculated Property | |
| Pc | 1050.59 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2751.00 | NIST | |
| Tboil | 644.62 | K | Relay (1.0) Calculated Property |
| Tc | 887.88 | K | Relay (1.0) Calculated Property |
| Tfus | 298.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl 8-chlorooctyl 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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