- InChI
- InChI=1S/C23H48O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)25-26(5,6)23(2,3)4/h7-21H2,1-6H3
- InChI Key
- PADPNPKFJSPJIC-UHFFFAOYSA-N
- Formula
- C23H48O2Si
- SMILES
-
CCCCCCCCCCCCCCCCC(=O)O[Si](C)(
C)C(C)(C)C - Molecular Weight1
- 384.71
- CAS
- 104255-81-4
- Other Names
-
- Heptadecanoic acid, TBDMS
- Margaric acid, TBDMS ester
- Margaric acid, TBDMS
- Margarate, TBDMS
- Margaric acid, DMTBS
- Heptadecanoic acid, tbdms derivative
- 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 | 0.9797 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -922.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.406 | Crippen Calculated Property | |
| Pc | 731.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2373.00; 2388.00] |
|
|
| Inp | 2388.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Inp | 2387.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Inp | Outlier 2373.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Tboil | 598.39 | K | Relay (1.0) Calculated Property |
| Tc | 799.92 | K | Relay (1.0) Calculated Property |
| Tfus | 301.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.411 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid, tert-butyldimethylsilyl ester.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.