- InChI
- InChI=1S/C33H67NO4Si4/c1-23(35-39(4,5)6)27-18-19-28-26-17-16-24-20-25(36-40(7,8)9)21-30(37-41(10,11)12)33(24,3)31(26)29(22-32(27,28)2)34-38-42(13,14)15/h23-28,30-31H,16-22H2,1-15H3/b34-29+
- InChI Key
- GZWDWHIBUILDJG-RIHQVDFKSA-N
- Formula
- C33H67NO4Si4
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4CC
(O[Si](C)(C)C)CC(O[Si](C)(C)C) C4(C)C3C(=NO[Si](C)(C)C)CC12C - Molecular Weight1
- 654.23
- 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 | 0.8465 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1193.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.753 | Crippen Calculated Property | |
| Inp | [3036.00; 3036.00] |
|
|
| Inp | 3036.00 | NIST | |
| Inp | 3036.00 | NIST | |
| Tboil | 727.42 | K | Relay (1.0) Calculated Property |
| Tc | 986.24 | K | Relay (1.0) Calculated Property |
| Tfus | 362.86 | K | Relay (1.0) Calculated Property |
| Vc | 2.121 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«xi»-Pregnan-11-one, 1«xi»,3«xi»,20«xi»-trihydroxy, TMSO-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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