- InChI
- InChI=1S/C21H32O4Si/c1-16(2)10-9-11-17(3)14-15-24-20(22)18-12-7-8-13-19(18)21(23)25-26(4,5)6/h7-8,10,12-13,17H,9,11,14-15H2,1-6H3
- InChI Key
- APLPSWLOURPXJI-UHFFFAOYSA-N
- Formula
- C21H32O4Si
- SMILES
-
CC(C)=CCCC(C)CCOC(=O)c1ccccc1C
(=O)O[Si](C)(C)C - Molecular Weight1
- 376.56
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 3,7-dimethyloct-6-enyl trimethylsilyl 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 | 0.8632 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -880.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.608 | Crippen Calculated Property | |
| Pc | 754.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2353.00; 2353.00] |
|
|
| Inp | 2353.00 | NIST | |
| Inp | 2353.00 | NIST | |
| Tboil | 631.83 | K | Relay (1.0) Calculated Property |
| Tc | 827.29 | K | Relay (1.0) Calculated Property |
| Tfus | 245.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyloct-6-enyl trimethylsilyl 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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