- InChI
- InChI=1S/C33H60O5Si4/c1-31-19-17-25(36-40(6,7)8)21-24(31)15-16-26-27-18-20-33(38-42(12,13)14,29(34)23-35-39(3,4)5)32(27,2)22-28(30(26)31)37-41(9,10)11/h15,17,19,21,26-28,30H,16,18,20,22-23H2,1-14H3/t26?,27?,28?,30?,31-,32-,33-/m1/s1
- InChI Key
- AWFNVAAHFNIRPH-VWAFQAQGSA-N
- Formula
- C33H60O5Si4
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1=CCC
1C2C(O[Si](C)(C)C)CC2(C)C1CCC2 (O[Si](C)(C)C)C(=O)CO[Si](C)(C )C - Molecular Weight1
- 649.17
- 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 | 0.7799 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1265.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.911 | Crippen Calculated Property | |
| Pc | -820.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3295.00; 3295.00] |
|
|
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Tboil | 706.31 | K | Relay (1.0) Calculated Property |
| Tc | 983.30 | K | Relay (1.0) Calculated Property |
| Tfus | 386.51 | K | Relay (1.0) Calculated Property |
| Vc | 2.027 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Prednisolone, tetra-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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