- InChI
- InChI=1S/C33H58O3Si2/c1-23(12-11-13-24(2)31(34)36-38(8,9)10)28-16-17-29-27-15-14-25-22-26(35-37(5,6)7)18-20-32(25,3)30(27)19-21-33(28,29)4/h18,22-24,27-30H,11-17,19-21H2,1-10H3/t23?,24?,27?,28-,29?,30?,32+,33-/m0/s1
- InChI Key
- AEVYTVYTETXXGC-VDNSYZNFSA-N
- Formula
- C33H58O3Si2
- SMILES
-
CC(CCCC(C)C1CCC2C3CCC4=CC(O[Si
](C)(C)C)=CCC4(C)C3CCC12C)C(=O )O[Si](C)(C)C - Molecular Weight1
- 558.98
- 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 | 0.8042 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1010.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 129.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.731 | Crippen Calculated Property | |
| Inp | [3528.00; 3528.00] |
|
|
| Inp | 3528.00 | NIST | |
| Inp | 3528.00 | NIST | |
| Tboil | 699.25 | K | Relay (1.0) Calculated Property |
| Tc | 981.63 | K | Relay (1.0) Calculated Property |
| Tfus | 394.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.778 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cholestenoic acid, 3-one, 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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