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| Reaction Details | |
|---|---|
 | Report a problem with these data |
| Cell Reactant: | BDBM36269 |
| Syringe Reactant: | BDBM36194 |
| Meas. Tech.: | ITC |
| Entry Date: | 01/03/11 |
| ΔG°: | -5.46±0 (kcal/mole) |
| pH: | 7.2±0 |
| Log10Kb: | 4.00± 1.77 |
| Temperature: | 298.15±0 (K) |
| ΔH° : | -3.14±0 (kcal/mole) |
| ΔHobs: | n/a |
| Ionic Strength: | n/a |
| n/a | |
| Protons Released: | n/a |
| ΔCp : | n/a |
| Stoich. Param.: | n/a |
| ΔS° : | 0.0100±0 (kcal/mole-K) |
| Comments: | First trial |
| Citation |  Liu, Y; Yang, EC; Yang, YW; Zhang, HY; Fan, Z; Ding, F; Cao, R Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers. J Org Chem69:173-80 (2004) [PubMed] Article |
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
| BDBM36269 | |
| Source: | n/a |
| Purity: | n/a |
| Prep. Method: | n/a |
| Name | BDBM36269 |
| Synonyms: | 6-O-(4-nitrophenyl)-beta-cyclodextrin |
| Type | Molecular Host |
| Emp. Form. | C48H73NO37 |
| Mol. Mass. | 1256.0777 |
| SMILES | OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O |
| Structure | 
|
| BDBM36194 | |
| Source: | n/a |
| Purity: | n/a |
| Prep. Method: | n/a |
| Name | BDBM36194 |
| Synonyms: | cyclooctanol |
| Type | Guest |
| Emp. Form. | C8H16O |
| Mol. Mass. | 128.212 |
| SMILES | OC1CCCCCCC1 |
| Structure | 
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