- InChI
- InChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24-,25+,26-,27-/m0/s1
- InChI Key
- UPRYONQLEJIRBX-ZEEZOPKCSA-N
- Formula
- C28H70O8Si7
- SMILES
-
C[Si](C)(C)OCC(O[Si](C)(C)C)C(
O[Si](C)(C)C)C(O[Si](C)(C)C)C( O[Si](C)(C)C)C(O[Si](C)(C)C)C( =O)O[Si](C)(C)C - Molecular Weight1
- 731.45
- 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 | 0.9965 | Relay (1.0) Calculated Property | |
| ΔfG° | -734.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2329.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.316 | Crippen Calculated Property | |
| Inp | [2251.20; 2251.20] |
|
|
| Inp | 2251.20 | NIST | |
| Inp | 2251.20 | NIST | |
| Tboil | 661.39 | K | Relay (1.0) Calculated Property |
| Tc | 789.41 | K | Relay (1.0) Calculated Property |
| Tfus | 286.50 | K | Relay (1.0) Calculated Property |
| Vc | 2.439 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to GLUCOHEPTONIC ACID 7TMS.
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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