- InChI
- InChI=1S/C38H70O8Si6/c1-47(2,3)39-28-34-35(44-50(10,11)12)36(45-51(13,14)15)37(46-52(16,17)18)38(41-34)40-32-25-30(26-33(27-32)43-49(7,8)9)20-19-29-21-23-31(24-22-29)42-48(4,5)6/h19-27,34-38H,28H2,1-18H3/b20-19-
- InChI Key
- ZAYPUEYKPPTDBS-VXPUYCOJSA-N
- Formula
- C38H70O8Si6
- SMILES
-
C[Si](C)(C)OCC1OC(Oc2cc(C=Cc3c
cc(O[Si](C)(C)C)cc3)cc(O[Si](C )(C)C)c2)C(O[Si](C)(C)C)C(O[Si ](C)(C)C)C1O[Si](C)(C)C - Molecular Weight1
- 823.47
- 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 | 1.1704 | Relay (... Calculated Property | |
| ΔfG° | -390.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1916.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 123.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -7.96 | Relay (... Calculated Property | |
| logPoct/wat | 10.900 | Crippen Calculated Property | |
| Pc | -1469.98 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3308.90; 3308.90] |
|
|
| Inp | 3308.90 | NIST | |
| Inp | 3308.90 | NIST | |
| Tboil | 830.73 | K | Relay (... Calculated Property |
| Tc | 1042.74 | K | Relay (... Calculated Property |
| Tfus | 371.00 | K | Relay (... Calculated Property |
| Vc | 2.572 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to cis-Piceid, 6TMS.
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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