- InChI
- InChI=1S/C32H57FN2O5Si3/c1-29-18-16-24(34-36-3)20-23(29)14-15-26-25-17-19-31(40-43(11,12)13,27(35-37-4)22-38-41(5,6)7)30(25,2)21-28(32(26,29)33)39-42(8,9)10/h16,18,20,25-26,28H,14-15,17,19,21-22H2,1-13H3/b34-24+,35-27-/t25-,26-,28-,29-,30-,31-,32-/m1/s1
- InChI Key
- YIWPTVOOWPWARJ-XZVCHNANSA-N
- Formula
- C32H57FN2O5Si3
- SMILES
-
CON=C1C=CC2(C)C(=C1)CCC1C3CCC(
O[Si](C)(C)C)(C(CO[Si](C)(C)C) =NOC)C3(C)CC(O[Si](C)(C)C)C12F - Molecular Weight1
- 653.06
- 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.
- 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 | 0.9017 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1074.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.094 | Crippen Calculated Property | |
| Inp | 3000.00 | NIST | |
| Tboil | 725.44 | K | Relay (1.0) Calculated Property |
| Tc | 992.39 | K | Relay (1.0) Calculated Property |
| Tfus | 380.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.934 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isoflupredone, bis-MO-tris-TMS.
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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