![Silane, [[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl]tris(oxy)]tris[trimethyl-, (2R-cis)-](/cid/71-822-0/Silane-2-3-4-bis-trimethylsilyl-oxy-phenyl-3-4-dihydro-2H-1-benzopyran-3-5-7-triyl-tris-oxy-tris-trimethyl-2R-cis.png "Silane, [[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl]tris(oxy)]tris[trimethyl-, (2R-cis)-")
- InChI
- InChI=1S/C30H54O6Si5/c1-37(2,3)32-23-19-26-24(27(20-23)34-39(7,8)9)21-29(36-41(13,14)15)30(31-26)22-16-17-25(33-38(4,5)6)28(18-22)35-40(10,11)12/h16-20,29-30H,21H2,1-15H3/t29-,30-/m1/s1
- InChI Key
- QKMSLFRFGOTVEJ-LOYHVIPDSA-N
- Formula
- C30H54O6Si5
- SMILES
-
C[Si](C)(C)Oc1cc2c(c(O[Si](C)(
C)C)c1)CC(O[Si](C)(C)C)C(c1ccc (O[Si](C)(C)C)c(O[Si](C)(C)C)c 1)O2 - Molecular Weight1
- 651.17
- CAS
- 89267-68-5
- Other Names
-
- Catechine, penta-TMS-ether, (2R-cis)-
- Epicatechine, penta-TMS-ether
- 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 | 1.0500 | Relay (... Calculated Property | |
| ΔfG° | -311.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1462.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -6.73 | Relay (... Calculated Property | |
| logPoct/wat | 9.438 | Crippen Calculated Property | |
| Pc | -804.34 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2838.20 | NIST | |
| Tboil | 725.61 | K | Relay (... Calculated Property |
| Tc | 974.34 | K | Relay (... Calculated Property |
| Tfus | 362.31 | K | Relay (... Calculated Property |
| Vc | 2.078 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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