- InChI
- InChI=1S/C13H17ClFNOSi/c1-18(2,9-4-3-8-16)17-10-11-12(14)6-5-7-13(11)15/h5-7H,3-4,9-10H2,1-2H3
- InChI Key
- MQTNSZGIIYGQLJ-UHFFFAOYSA-N
- Formula
- C13H17ClFNOSi
- SMILES
-
C[Si](C)(CCCC#N)OCc1c(F)cccc1C
l - Molecular Weight1
- 285.82
- 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 | 0.6422 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -360.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.505 | Crippen Calculated Property | |
| Pc | 1804.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1868.00 | NIST | |
| Tboil | 588.70 | K | Relay (1.0) Calculated Property |
| Tc | 814.81 | K | Relay (1.0) Calculated Property |
| Tfus | 320.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-6-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether.
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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