- InChI
- InChI=1S/C25H52O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)27-28(5,6)25(2,3)4/h7-23H2,1-6H3
- InChI Key
- IRJWTOHPSQRGKW-UHFFFAOYSA-N
- Formula
- C25H52O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCC(=O)O[Si](C
)(C)C(C)(C)C - Molecular Weight1
- 412.76
- CAS
- 104255-82-5
- Other Names
-
- Nonadecanoic acid, TBDMS
- tert-Butyl(dimethyl)silyl nonadecanoate
- Nonadecanoic 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 | 1.0500 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -962.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.186 | Crippen Calculated Property | |
| Pc | 561.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2576.00; 2589.00] |
|
|
| Inp | 2583.80 | NIST | |
| Inp | 2589.00 | NIST | |
| Inp | 2576.00 | NIST | |
| Inp | 2583.80 | NIST | |
| Tboil | 612.36 | K | Relay (1.0) Calculated Property |
| Tc | 815.45 | K | Relay (1.0) Calculated Property |
| Tfus | 307.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.522 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecanoic 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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