- InChI
- InChI=1S/C22H44O3Si/c1-24-22(23)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-26(2,3)4/h5-6H,7-21H2,1-4H3/b6-5+
- InChI Key
- XNRDVMVIWVYCDP-AATRIKPKSA-N
- Formula
- C22H44O3Si
- SMILES
-
COC(=O)CCCCCCCC=CCCCCCCCCO[Si]
(C)(C)C - Molecular Weight1
- 384.67
- CAS
- 21987-17-7
- Other Names
-
- 18-hydroxyoctadec-9-enoic acid, methyl ester TMSi ether
- 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 | 0.9546 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -978.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.029 | Crippen Calculated Property | |
| Pc | 531.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2435.00 | NIST | |
| Tboil | 619.71 | K | Relay (1.0) Calculated Property |
| Tc | 784.22 | K | Relay (1.0) Calculated Property |
| Tfus | 280.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.338 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid, 18-(trimethylsiloxy)-, methyl 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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