- InChI
- InChI=1S/C29H48O3Si3/c1-11-34(7,8)30-22-14-16-23-21(19-22)13-15-25-24(23)17-18-29(3)26(25)20-27(31-33(4,5)6)28(29)32-35(9,10)12-2/h11-12,14,16,19,24-28H,1-2,13,15,17-18,20H2,3-10H3/t24-,25-,26+,27-,28+,29+/m0/s1
- InChI Key
- XQHZGBFFRKDFRB-KLUNGUGNSA-N
- Formula
- C29H48O3Si3
- SMILES
-
C=C[Si](C)(C)Oc1ccc2c(c1)CCC1C
2CCC2(C)C1CC(O[Si](C)(C)C)C2O[ Si](C)(C)C=C - Molecular Weight1
- 528.95
- 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 | 0.7037 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -744.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.997 | Crippen Calculated Property | |
| Inp | 3170.00 | NIST | |
| Tboil | 730.71 | K | Relay (1.0) Calculated Property |
| Tc | 976.77 | K | Relay (1.0) Calculated Property |
| Tfus | 369.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.629 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Estriol. VDMS.
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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