Reaction Details  Report a problem with these data
Cell Reactant:
BDBM4
Syringe Reactant:
BDBM36118
Meas. Tech.:
ITC
Entry Date.:
10/10/10
ΔG°:
-5±2 (kJ/mole)
pH:
6.9±0
Log10Kb:
0.6
Temperature:
298.15±0 (K)
ΔH° :
-13±6 (kJ/mole)
ΔS° :
-0.027±0.02 (kJ/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 Soc 122:4418-35 (2000)  
Cell React
Source:
10016-20-3 (Sigma)
Name:
BDBM4
Synonyms:
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | alpha-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C36H60O30
Mol. Mass.:
972.8436
SMILES:
[H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
Structure:
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Syringe React
Name:
BDBM36118
Synonyms:
3-ethoxypropylamine
Type:
Guest
Emp. Form.:
C5H14NO
Mol. Mass.:
104.1702
SMILES:
CCOCCC[NH3+]
Structure:
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