- InChI
- InChI=1S/C12H22N2O2Si2/c1-17(2,3)14-9-11(13-10-14)7-8-12(15)16-18(4,5)6/h7-10H,1-6H3/b8-7+
- InChI Key
- IHLJELKBOAFQBW-BQYQJAHWSA-N
- Formula
- C12H22N2O2Si2
- SMILES
-
C[Si](C)(C)OC(=O)C=Cc1cn([Si](
C)(C)C)cn1 - Molecular Weight1
- 282.49
- Other Names
-
- Urocanic acid, TMS
- Urocanic acid, 2tms derivative
- 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).
- 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 | 0.6006 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -505.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.957 | Crippen Calculated Property | |
| Pc | 1470.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 556.87 | K | Relay (1.0) Calculated Property |
| Tc | 765.81 | K | Relay (1.0) Calculated Property |
| Tfus | 341.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urocanic acid, N,O-bis(trimethylsilyl)-.
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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