- InChI
- InChI=1S/C30H58O5Si3/c1-27-16-13-17-28(2,26(31)32-3)24(27)18-25(34-37(7,8)9)29-19-22(14-15-23(27)29)30(20-29,35-38(10,11)12)21-33-36(4,5)6/h22-25H,13-21H2,1-12H3/t22-,23?,24?,25-,27+,28-,29-,30-/m0/s1
- InChI Key
- DMPXXORFQWDRPX-OBTUAGNVSA-N
- Formula
- C30H58O5Si3
- SMILES
-
COC(=O)C1(C)CCCC2(C)C1CC(O[Si]
(C)(C)C)C13CC(CCC21)C(CO[Si](C )(C)C)(O[Si](C)(C)C)C3 - Molecular Weight1
- 583.03
- 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 | 0.7667 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1357.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.844 | Crippen Calculated Property | |
| Inp | [2866.00; 2866.00] |
|
|
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Tboil | 698.87 | K | Relay (1.0) Calculated Property |
| Tc | 969.54 | K | Relay (1.0) Calculated Property |
| Tfus | 358.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.863 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to ent-16«beta»,17-H2(OH)2 7«alpha»-OH kaurenoic acid, MeTMSi.
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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