- InChI
- InChI=1S/C12H16N2O3Si/c1-18(2,10-4-3-9-13)17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,10H2,1-2H3
- InChI Key
- PJGVRRQPRCQLMW-UHFFFAOYSA-N
- Formula
- C12H16N2O3Si
- SMILES
-
C[Si](C)(CCCC#N)Oc1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 264.35
- 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 | 0.7516 | Relay (1.0) Calculated Property | |
| ΔfG° | 214.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -144.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.482 | Crippen Calculated Property | |
| Pc | 1821.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2098.00; 2098.00] |
|
|
| Inp | 2098.00 | NIST | |
| Inp | 2098.00 | NIST | |
| Tboil | 609.12 | K | Relay (1.0) Calculated Property |
| Tc | 856.14 | K | Relay (1.0) Calculated Property |
| Tfus | 360.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.726 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Cyanopropyl)dimethylsilyloxy-4-nitrobenzene.
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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