Van der Waals reduced volume
Definition
Van der Waals Volume is an imaginary volume that combines the 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
- Critical Pressure
- Critical Temperature
- Dipole moment
- Electron affinity
- Enthalpy of Formation for Ideal Gas at 298.15K
- Enthalpy of Fusion at melting point
- Flash Point
- Gibbs Energy of Formation for Ideal Gas at 298.15 K and 1 bar
- Heat of Vaporization at 298.15K
- Heat of Vaporization at Normal Boiling Point
- Ionization potential
- Liquid Density at Normal Boiling Point
- Liquid Molar Volume at 298.15K
- Lower Flammability Limit Temperature
- Lower Flammability Limit Volume Percent
- Magnetic Susceptibility
- Net standard state enthalpy of Combustion at 298.15K
- Normal boiling point
- Parachor
- Polarizability
- Radius of Gyration
- Refractive index
- 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
- Descriptor
- 1 Constitutional descriptors
- 2 Topological descriptors
- 3 Walk and path counts
- 4 Connectivity indices
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