- InChI
- InChI=1S/C31H53FO5Si3/c1-21-17-25-24-14-13-22-18-23(33)15-16-28(22,2)30(24,32)27(36-39(7,8)9)19-29(25,3)31(21,37-40(10,11)12)26(34)20-35-38(4,5)6/h15-16,18,21,24-25,27H,13-14,17,19-20H2,1-12H3/t21-,24?,25?,27?,28?,29?,30+,31+/m0/s1
- InChI Key
- LXHCVAWDDVUPNO-VLNHXOEZSA-N
- Formula
- C31H53FO5Si3
- SMILES
-
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(
F)C(O[Si](C)(C)C)CC2(C)C1(O[Si ](C)(C)C)C(=O)CO[Si](C)(C)C - Molecular Weight1
- 609.00
- 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 | 0.7477 | Relay (... Calculated Property | |
| ΔfG° | -346.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1380.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -6.22 | Relay (... Calculated Property | |
| logPoct/wat | 7.473 | Crippen Calculated Property | |
| Pc | -280.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3251.00; 3251.00] |
|
|
| Inp | 3251.00 | NIST | |
| Inp | 3251.00 | NIST | |
| Tboil | 722.79 | K | Relay (... Calculated Property |
| Tc | 992.34 | K | Relay (... Calculated Property |
| Tfus | 416.00 | K | Relay (... Calculated Property |
| Vc | 1.814 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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