- InChI
- InChI=1S/C30H56O5Si3/c1-20-18-30-19-21(20)22(33-36(5,6)7)17-23(30)28(2)15-14-16-29(3,27(31)32-4)25(28)24(34-37(8,9)10)26(30)35-38(11,12)13/h21-26H,1,14-19H2,2-13H3/t21-,22+,23?,24-,25?,26-,28+,29-,30+/m1/s1
- InChI Key
- QBWCWXKMXXCFDO-OFDKGRPOSA-N
- Formula
- C30H56O5Si3
- SMILES
-
C=C1CC23CC1C(O[Si](C)(C)C)CC2C
1(C)CCCC(C)(C(=O)OC)C1C(O[Si]( C)(C)C)C3O[Si](C)(C)C - Molecular Weight1
- 581.02
- 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 | 0.7220 | Relay (1.0) Calculated Property | |
| ΔfG° | -215.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1292.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.619 | Crippen Calculated Property | |
| Inp | 2769.00 | NIST | |
| Tboil | 699.50 | K | Relay (1.0) Calculated Property |
| Tc | 965.79 | K | Relay (1.0) Calculated Property |
| Tfus | 343.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.811 | 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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