- InChI
- InChI=1S/C16H24F5NO3Si2/c1-26(2,3)24-7-10(8-25-27(4,5)6)22-23-9-11-12(17)14(19)16(21)15(20)13(11)18/h7-9H2,1-6H3
- InChI Key
- USWYPJDAMDAWJD-UHFFFAOYSA-N
- Formula
- C16H24F5NO3Si2
- SMILES
-
C[Si](C)(C)OCC(CO[Si](C)(C)C)=
NOCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 429.53
- Other Names
-
- Dihydroxyacetone, O-pentafluorobenzyloxime, TMS
- 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 | 0.8178 | Relay (1.0) Calculated Property | |
| ΔfG° | -801.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1331.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.958 | Crippen Calculated Property | |
| Pc | 1027.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1684.00; 1684.00] |
|
|
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 574.12 | K | Relay (1.0) Calculated Property |
| Tc | 728.99 | K | Relay (1.0) Calculated Property |
| Tfus | 326.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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