- InChI
- InChI=1S/C34H62O4Si2/c1-23(13-12-14-24(2)32(35)36-5)27-15-16-28-31-29(18-20-34(27,28)4)33(3)19-17-26(37-39(6,7)8)21-25(33)22-30(31)38-40(9,10)11/h22-24,26-31H,12-21H2,1-11H3/t23?,24?,26-,27?,28?,29?,30-,31?,33?,34?/m1/s1
- InChI Key
- XMQRPHQEIMCXFD-LUDTZVSMSA-N
- Formula
- C34H62O4Si2
- SMILES
-
COC(=O)C(C)CCCC(C)C1CCC2C3C(O[
Si](C)(C)C)C=C4CC(O[Si](C)(C)C )CCC4(C)C3CCC12C - Molecular Weight1
- 591.02
- 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 | 0.8154 | Relay (... Calculated Property | |
| ΔfG° | -79.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1188.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -7.10 | Relay (... Calculated Property | |
| logPoct/wat | 9.231 | Crippen Calculated Property | |
| Pc | -497.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3530.00; 3530.00] |
|
|
| Inp | 3530.00 | NIST | |
| Inp | 3530.00 | NIST | |
| Tboil | 711.99 | K | Relay (... Calculated Property |
| Tc | 988.10 | K | Relay (... Calculated Property |
| Tfus | 388.61 | K | Relay (... Calculated Property |
| Vc | 1.872 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»,7«beta»-Dihydroxy-5-cholestenoate, MeTMS.
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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