- InChI
- InChI=1S/C16H18ClNO3Si/c1-22(2,12-13-7-4-3-5-8-13)21-11-14-9-6-10-15(17)16(14)18(19)20/h3-10H,11-12H2,1-2H3
- InChI Key
- WRPMFZHIEJDPED-UHFFFAOYSA-N
- Formula
- C16H18ClNO3Si
- SMILES
-
C[Si](C)(Cc1ccccc1)OCc1cccc(Cl
)c1[N+](=O)[O-] - Molecular Weight1
- 335.86
- 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 | 0.6940 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -176.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.752 | Crippen Calculated Property | |
| Pc | 1641.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2296.00; 2296.00] |
|
|
| Inp | 2296.00 | NIST | |
| Inp | 2296.00 | NIST | |
| Tboil | 635.07 | K | Relay (1.0) Calculated Property |
| Tc | 924.66 | K | Relay (1.0) Calculated Property |
| Tfus | 307.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.879 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-nitrobenzyl alcohol, benzyldimethylsilyl 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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