- InChI
- InChI=1S/C28H50O7Si2/c1-25(14-11-15-26(2,24(31)33-4)22(25)23(30)32-3)21-13-12-20-16-27(21,18-29)17-28(20,35-37(8,9)10)19-34-36(5,6)7/h18,20-22H,11-17,19H2,1-10H3/t20?,21-,22-,25-,26+,27-,28-/m1/s1
- InChI Key
- PUCYDFPNNSORKS-MUBULWPGSA-N
- Formula
- C28H50O7Si2
- SMILES
-
COC(=O)C1C(C)(C(=O)OC)CCCC1(C)
C1CCC2CC1(C=O)CC2(CO[Si](C)(C) C)O[Si](C)(C)C - Molecular Weight1
- 554.86
- 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 | 0.8120 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1535.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.592 | Crippen Calculated Property | |
| Pc | 139.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3026.00 | NIST | |
| Tboil | 701.57 | K | Relay (1.0) Calculated Property |
| Tc | 968.16 | K | Relay (1.0) Calculated Property |
| Tfus | 366.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.661 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 16«alpha»,17-diOH-fujanoic acid, methyl ester TMS ether.
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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