- InChI
- InChI=1S/C36H70O5Si4/c1-25(16-19-33(37)41-45(13,14)15)28-17-18-29-34-30(24-32(36(28,29)3)40-44(10,11)12)35(2)21-20-27(38-42(4,5)6)22-26(35)23-31(34)39-43(7,8)9/h23,25,27-32,34H,16-22,24H2,1-15H3/t25-,27+,28-,29?,30?,31+,32+,34?,35+,36-/m0/s1
- InChI Key
- ACPUMZZEKMSBSV-ZKVVBUKYSA-N
- Formula
- C36H70O5Si4
- SMILES
-
CC(CCC(=O)O[Si](C)(C)C)C1CCC2C
3C(O[Si](C)(C)C)C=C4CC(O[Si](C )(C)C)CCC4(C)C3CC(O[Si](C)(C)C )C12C - Molecular Weight1
- 695.28
- 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 | 0.8910 | Relay (... Calculated Property | |
| ΔfG° | -177.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1521.94 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -7.13 | Relay (... Calculated Property | |
| logPoct/wat | 10.240 | Crippen Calculated Property | |
| Pc | -1046.89 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3302.00 | NIST | |
| Tboil | 736.18 | K | Relay (... Calculated Property |
| Tc | 1003.50 | K | Relay (... Calculated Property |
| Tfus | 360.05 | K | Relay (... Calculated Property |
| Vc | 2.226 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholenoic acid, 3-«beta»,7-«beta»-diol, 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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