- InChI
- InChI=1S/C37H72FNO6Si5/c1-34-22-21-28(39-40-3)23-27(34)19-20-29-30-24-31(42-47(7,8)9)37(45-50(16,17)18,33(44-49(13,14)15)26-41-46(4,5)6)35(30,2)25-32(36(29,34)38)43-48(10,11)12/h21-23,29-33H,19-20,24-26H2,1-18H3/t29?,30?,31-,32?,33?,34?,35?,36+,37+/m0/s1
- InChI Key
- RMZWLYIIBQBHEK-NHXZZABLSA-N
- Formula
- C37H72FNO6Si5
- SMILES
-
CON=C1C=CC2(C)C(=C1)CCC1C3CC(O
[Si](C)(C)C)C(O[Si](C)(C)C)(C( CO[Si](C)(C)C)O[Si](C)(C)C)C3( C)CC(O[Si](C)(C)C)C12F - Molecular Weight1
- 786.40
- 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 | 0.9565 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1619.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.142 | Crippen Calculated Property | |
| Pc | -1268.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3493.00; 3493.00] |
|
|
| Inp | 3493.00 | NIST | |
| Inp | 3493.00 | NIST | |
| Tboil | 760.95 | K | Relay (1.0) Calculated Property |
| Tc | 1015.42 | K | Relay (1.0) Calculated Property |
| Tfus | 369.44 | K | Relay (1.0) Calculated Property |
| Vc | 2.420 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Triamcinolone, 20-hydroxy, MO 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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