- InChI
- InChI=1S/C31H52O8Si5/c1-33-25-17-21(18-26(37-42(8,9)10)30(25)38-43(11,12)13)29-31(39-44(14,15)16)28(32)27-23(34-29)19-22(35-40(2,3)4)20-24(27)36-41(5,6)7/h17-20H,1-16H3
- InChI Key
- NCHJXUGHVJJDIE-UHFFFAOYSA-N
- Formula
- C31H52O8Si5
- SMILES
-
COc1cc(-c2oc3cc(O[Si](C)(C)C)c
c(O[Si](C)(C)C)c3c(=O)c2O[Si]( C)(C)C)cc(O[Si](C)(C)C)c1O[Si] (C)(C)C - Molecular Weight1
- 693.17
- 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 | 1.2721 | Relay (1.0) Calculated Property | |
| ΔfG° | -526.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1597.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.537 | Crippen Calculated Property | |
| Inp | [3261.60; 3261.60] |
|
|
| Inp | 3261.60 | NIST | |
| Inp | 3261.60 | NIST | |
| Tboil | 772.58 | K | Relay (1.0) Calculated Property |
| Tc | 1051.10 | K | Relay (1.0) Calculated Property |
| Tfus | 391.21 | K | Relay (1.0) Calculated Property |
| Vc | 2.151 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Laricitrin (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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