- InChI
- InChI=1S/C31H54O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)27-24-21-22-25-28(27)30(33)35-36(5,6)31(2,3)4/h21-22,24-25H,7-20,23,26H2,1-6H3
- InChI Key
- CVYVHAOEXXLMCW-UHFFFAOYSA-N
- Formula
- C31H54O4Si
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 518.84
- Other Names
-
- 1,2-Benzenedicarboxylic acid, heptadecyl 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 | 1.2966 | Relay (... Calculated Property | |
| ΔfG° | -194.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1146.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 125.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.39 | eV | Relay (... Calculated Property |
| log10WS | -8.57 | Relay (... Calculated Property | |
| logPoct/wat | 9.877 | Crippen Calculated Property | |
| Pc | 242.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3372.00 | NIST | |
| Tboil | 694.44 | K | Relay (... Calculated Property |
| Tc | 918.19 | K | Relay (... Calculated Property |
| Tfus | 295.66 | K | Relay (... Calculated Property |
| Vc | 1.739 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl heptadecyl 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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