- InChI
- InChI=1S/C22H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)24-25(5,6)22(2,3)4/h7-20H2,1-6H3
- InChI Key
- GPNFTJMLPUJTAA-UHFFFAOYSA-N
- Formula
- C22H46O2Si
- SMILES
-
CCCCCCCCCCCCCCCC(=O)O[Si](C)(C
)C(C)(C)C - Molecular Weight1
- 370.68
- CAS
- 58160-87-5
- Other Names
-
- Hexadecanoic acid, DMTBS
- Hexadecanoic acid, TBDMS
- Palmitic acid, TBDMS
- Palmitic acid, DMTBS
- tert-Butyl(dimethyl)silyl palmitate
- Palmitic 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.
- I : 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 | 0.9444 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -902.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.016 | Crippen Calculated Property | |
| Pc | 817.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2263.00; 2290.00] |
|
|
| Inp | 2290.00 | NIST | |
| Inp | 2281.20 | NIST | |
| Inp | Outlier 2263.00 | NIST | |
| Inp | 2288.00 | NIST | |
| Inp | 2289.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2281.20 | NIST | |
| Inp | 2290.00 | NIST | |
| Inp | 2288.00 | NIST | |
| I | [2370.00; 2370.00] |
|
|
| I | 2370.00 | NIST | |
| I | 2370.00 | NIST | |
| Tboil | 590.97 | K | Relay (1.0) Calculated Property |
| Tc | 791.65 | K | Relay (1.0) Calculated Property |
| Tfus | 298.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.355 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic 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
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.