Reaction Details | |
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Cell Reactant: | BDBM11 |
Syringe Reactant: | BDBM36026 |
Meas. Tech.: | ITC |
Entry Date: | 10/10/10 |
ΔG°: | -3.02±0.0100 (kcal/mole) |
pH: | 6.9±0 |
Log10Kb: | 2.21± 0.602 |
Temperature: | 298.15±0 (K) |
ΔH° : | -1.65±0.0200 (kcal/mole) |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | 0±0 (kcal/mole-K) |
Comments: | First trial |
Citation | Rekharsky, M; Inoue, Y Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect J Am Chem Soc122:4418-35 (2000) |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM11 | |
Source: | 7585-39-9 (Sigma) |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM11 |
Synonyms: | beta-cyclodextrin | betadex |
Type | Molecular Host |
Emp. Form. | C42H70O35 |
Mol. Mass. | 1134.9842 |
SMILES | [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O |
Structure | |
BDBM36026 | |
Source: | 501-52-0 (Aldrich) |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36026 |
Synonyms: | 3-phenylpropionate | 3-phenylpropionic acid |
Type | Guest |
Emp. Form. | C9H9O2 |
Mol. Mass. | 149.1671 |
SMILES | [O-]C(=O)CCc1ccccc1 |
Structure |
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