Van der Waals Area
Definition
Van der Waals Area is an imaginary area that combines the surface area of spherical atoms, which is defined by so called Van der Waals radius of the atoms consisting the molecule.
Estimation Method
MolInstincts: The Property value is estimated based on the quantum chemical calculations performed at a decent level of accuracy, e.g., B3LYP/6-31G*. Energy correction is carried out as well based on Møller-Plesset perturbation theory. The estimated value is finally determined after manual inspection.
Supplementary Explanation on Accuracy
No comment.
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- Absolute Entropy of Ideal Gas at 298.15K and 1bar
- Acentric factor
- Critial Volume
- Critical compressibility factor
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- Lower Flammability Limit Volume Percent
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- solubility parameter
- Standard State Absolute Entropy at 298.15K and 1bar
- Standard state enthalpy of formation at 298.15K and 1bar
- Standard state Gibbs Energy of Formation at 298.15K
- Upper flammability limit temperature
- Upper flammability limit volume percent
- Van der Waals Area
- Van der Waals reduced volume
- Temperature Dependent Property
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