- InChI
- InChI=1S/C21H34O4Si/c1-7-8-9-10-13-16-24-19(22)17-14-11-12-15-18(17)20(23)25-26(5,6)21(2,3)4/h11-12,14-15H,7-10,13,16H2,1-6H3
- InChI Key
- MQIOYOONYWNPHH-UHFFFAOYSA-N
- Formula
- C21H34O4Si
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)O[Si
](C)(C)C(C)(C)C - Molecular Weight1
- 378.58
- Other Names
-
- 1,2-Benzenedicarboxylic acid, heptyl 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 | 0.9231 | Relay (... Calculated Property | |
| ΔfG° | -280.73 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -938.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -5.66 | Relay (... Calculated Property | |
| logPoct/wat | 5.976 | Crippen Calculated Property | |
| Pc | 1086.26 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2348.00; 2348.00] |
|
|
| Inp | 2348.00 | NIST | |
| Inp | 2348.00 | NIST | |
| Tboil | 625.20 | K | Relay (... Calculated Property |
| Tc | 845.52 | K | Relay (... Calculated Property |
| Tfus | 278.69 | K | Relay (... Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl heptyl 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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