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Reaction Details
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Cell Reactant:BDBM11
Syringe Reactant:BDBM36134
Meas. Tech.:ITC
Entry Date:11/12/10
 
ΔG°:-2.19±0.0300 (kcal/mole)
pH:6.9±0
Log10Kb:1.61± 0.230
Temperature:298.15±0 (K)
ΔH° :-2.89±0.100 (kcal/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0±0 (kcal/mole-K)
Comments:First trial
 
Citation Rekharsky, MVMayhew, MPGoldberg, RNRoss, PDYamashoji, YInoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic Alcohols J Phys Chem B101:87-100 (1997)    Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM11
Source:7585-39-9
Purity:n/a
Prep. Method:n/a
NameBDBM11
Synonyms:beta-cyclodextrin | betadex
TypeMolecular 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
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BDBM36134
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36134
Synonyms:4-methylphenylacetate | 4-tolylacetic acid
TypeGuest
Emp. Form.C9H9O2
Mol. Mass.149.1671
SMILESCc1ccc(CC([O-])=O)cc1
Structure
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