- InChI
- InChI=1S/C26H40O6Si2/c1-15-16-10-12-25(21(15)32-34(7,8)9)17(14-16)19(22(27)29-3)20-24(2)18(31-33(4,5)6)11-13-26(20,25)30-23(24)28/h14,16,18-21H,1,10-13H2,2-9H3/t16?,18-,19-,20-,21?,24-,25-,26+/m0/s1
- InChI Key
- JTMLNMMXXFILOY-GKNFULMRSA-N
- Formula
- C26H40O6Si2
- SMILES
-
C=C1C2C=C3C(C(=O)OC)C4C5(C)C(=
O)OC4(CCC5O[Si](C)(C)C)C3(CC2) C1O[Si](C)(C)C - Molecular Weight1
- 504.76
- 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 | 0.6437 | Relay (1.0) Calculated Property | |
| ΔfG° | -387.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1162.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.834 | Crippen Calculated Property | |
| Pc | 214.49 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2730.00 | NIST | |
| Tboil | 666.62 | K | Relay (1.0) Calculated Property |
| Tc | 972.49 | K | Relay (1.0) Calculated Property |
| Tfus | 384.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.467 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Antheridic acid, 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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