Interaction Scheme

Molecule

1 heptylammonium
1-Heptylammonium

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2454.71 ± 56.53 M-1
Kd =
logKa = 3.39 ± 0.01
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.35 ± 0.06 -4.62 ± 0.01
ΔH = -20.86 ± 0.06 -4.99 ± 0.01
-TΔS = 1.51 ± 0.07 0.36 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = -5.1 ± 0.2 -1.2 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.1
Please find here information about the dataset this interaction is part of.
Citation:

F. Perret, J. Morel, N. Morel-Desrosiers, SupraBank 2024, Thermodynamics of the Complexation of the p-Sulfonatocalix[4]arene with Simple Model Guests in Water: a Microcalorimetric Study (dataset). https://doi.org/10.34804/supra.2021092853

Link: https://doi.org/10.34804/supra.2021092853
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Perret, J.-P. Morel, N. Morel-Desrosiers, Supramolecular Chemistry 2003, 15, 199–206.

Link: https://doi.org/10.1080/1061027031000078275
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-Heptylammonium (0.00814760195705399 M) and sCx4 (0 — 0.01629520391410798 M).