- InChI
- InChI=1S/C13H17Cl2NOSi/c1-18(2,8-4-3-7-16)17-10-11-5-6-12(14)9-13(11)15/h5-6,9H,3-4,8,10H2,1-2H3
- InChI Key
- LTFUTABNSYREJK-UHFFFAOYSA-N
- Formula
- C13H17Cl2NOSi
- SMILES
-
C[Si](C)(CCCC#N)OCc1ccc(Cl)cc1
Cl - Molecular Weight1
- 302.27
- 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 | 0.6612 | Relay (... Calculated Property | |
| ΔfG° | 105.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -220.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -3.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.019 | Crippen Calculated Property | |
| Pc | 1749.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2074.00 | NIST | |
| Tboil | 610.73 | K | Relay (... Calculated Property |
| Tc | 837.55 | K | Relay (... Calculated Property |
| Tfus | 311.58 | K | Relay (... Calculated Property |
| Vc | 0.806 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichlorobenzyl 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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