CRANIUM - Property Estimation Software

Cranium is a physical property estimation software package capable of predicting values for more than 30 physical properties. Estimates are generated for both pure components and mixtures. Simply draw your compound's molecular structure or enter its composition and Cranium automatically analyzes the structure for important functional groups, selects the best estimation technique, retrieves any required property data, and provides you with the most accurate estimate possible.

Some of the properties Cranium estimates include:


  • Absolute Entropy
  • Acentric Factor
  • Activity Coefficient
  • Aquatic Toxicity
  • Boiling Point
  • Bubble Point
  • Chemical Oxygen Demand
  • Critical Pressure
  • Critical Temperature
  • Critical Volume
  • Densities
  • Diffusion Coefficients
  • Dew Point
  • Enthalpy of Formation
  • Enthalpy of Fusion
  • Enthalpy of Vaporization
  • Flash Point
  • Freezing Point
  • Fugacity Coefficient
  • Gibbs Energy of Formation
  • Heat Capacities
  • Henry's Constant
  • Lower Flammability Limit
  • Melting Point
  • Molecular Weight
  • Octanol-Water Partition
  • Refractive Index
  • Solubility Parameter
  • Surface Tension
  • Thermal Conductivities
  • Upper Flammability Limit
  • Vapor Pressure
  • Viscosities
  • Water Solubility

CRANIUM Downloads
Simply draw a chemical's structure to estimate its properties
Store all your property knowledge in one central location
Estimate the properties of both pure components and mixtures