- InChI
- InChI=1S/C40H80O5Si4/c1-16-46(8,9)42-32-22-25-38(6)31(28-32)29-35(43-47(10,11)17-2)37-33(38)23-26-39(7)34(37)24-27-40(39,45-49(14,15)19-4)30(5)20-21-36(41)44-48(12,13)18-3/h30-35,37H,16-29H2,1-15H3/t30?,31?,32-,33?,34?,35-,37?,38?,39?,40+/m0/s1
- InChI Key
- OBJAMDYRFFJLHC-QPZUDUQESA-N
- Formula
- C40H80O5Si4
- SMILES
-
CC[Si](C)(C)OC(=O)CCC(C)C1(O[S
i](C)(C)CC)CCC2C3C(O[Si](C)(C) CC)CC4CC(O[Si](C)(C)CC)CCC4(C) C3CCC21C - Molecular Weight1
- 753.40
- 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 | 1.0270 | Relay (... Calculated Property | |
| ΔfG° | -213.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1689.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -7.48 | Relay (... Calculated Property | |
| logPoct/wat | 12.024 | Crippen Calculated Property | |
| Pc | -715.06 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3598.00 | NIST | |
| Tboil | 786.07 | K | Relay (... Calculated Property |
| Tc | 1056.68 | K | Relay (... Calculated Property |
| Tfus | 363.84 | K | Relay (... Calculated Property |
| Vc | 2.431 | m3/kmol | Relay (... 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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