- InChI
- InChI=1S/C32H60O9Si5/c1-35-26-21-24(17-19-25(26)37-42(2,3)4)18-20-29(33)36-27-22-32(41-46(14,15)16,31(34)40-45(11,12)13)23-28(38-43(5,6)7)30(27)39-44(8,9)10/h17-21,27-28,30H,22-23H2,1-16H3/b20-18-
- InChI Key
- IXVPJAVYTLDRIA-ZZEZOPTASA-N
- Formula
- C32H60O9Si5
- SMILES
-
COc1cc(C=CC(=O)OC2CC(O[Si](C)(
C)C)(C(=O)O[Si](C)(C)C)CC(O[Si ](C)(C)C)C2O[Si](C)(C)C)ccc1O[ Si](C)(C)C - Molecular Weight1
- 729.24
- 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 | 1.1279 | Relay (1.0) Calculated Property | |
| ΔfG° | -671.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2067.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.036 | Crippen Calculated Property | |
| Inp | [2938.30; 2938.30] |
|
|
| Inp | 2938.30 | NIST | |
| Inp | 2938.30 | NIST | |
| Tboil | 744.44 | K | Relay (1.0) Calculated Property |
| Tc | 955.12 | K | Relay (1.0) Calculated Property |
| Tfus | 342.62 | K | Relay (1.0) Calculated Property |
| Vc | 2.224 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-5-O-Feruloylquinic acid, 5TMS.
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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