- InChI
- InChI=1S/C28H50O6Si2/c1-25-13-11-14-26(2,24(30)32-4)22(25)21(23(29)31-3)27-16-19(17-33-35(5,6)7)28(18-27,15-12-20(25)27)34-36(8,9)10/h19-22H,11-18H2,1-10H3/t19-,20+,21-,22+,25+,26-,27+,28+/m0/s1
- InChI Key
- IBWSUNLYMOKQBR-UGSMSOJMSA-N
- Formula
- C28H50O6Si2
- SMILES
-
COC(=O)C1C2C(C)(C(=O)OC)CCCC2(
C)C2CCC3(O[Si](C)(C)C)CC12CC3C O[Si](C)(C)C - Molecular Weight1
- 538.86
- Other Names
-
- 16«beta», 17-H2-OH GA53, methyl ester TMS ether
- 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 | 0.7641 | Relay (1.0) Calculated Property | |
| ΔfG° | -371.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1390.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.023 | Crippen Calculated Property | |
| Pc | 52.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2747.00; 2763.00] |
|
|
| Inp | 2762.00 | NIST | |
| Inp | 2763.00 | NIST | |
| Inp | 2747.00 | NIST | |
| Inp | 2748.00 | NIST | |
| Inp | 2755.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Inp | 2757.00 | NIST | |
| Tboil | 681.48 | K | Relay (1.0) Calculated Property |
| Tc | 967.39 | K | Relay (1.0) Calculated Property |
| Tfus | 359.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.645 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 17-OH-16«beta»,17-H2 GA53 methyl ester TMS ether.
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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