What We Do

We are experts at understanding how molecular structure and composition determine the physical properties of chemicals and at how physical properties can be manipulated to design improved chemical products. We disseminate our expertise through computer software products, Cranium and Synapse, and consulting services. We can compile physical property data on specific classes of compounds, develop physical property estimation techniques, teach how physical properties define the performance of your chemical products, and work as part of a product development team suggesting components and formulations that satisfy physical property constraints.

Competitive Advantage

Molecular Knowledge Systems has been in business for over 20 years. We have worked on consulting projects involving lubricants, refrigerants, reaction solvents, cleaning solvents, polymer gels, deicing fluids, fuel additives, soil consolidants, reactive lubricants, crystal shape modifiers, and sonar fill fluids. Our software products predict transport properties, vapor pressures, thermal properties, critical properties, environmental properties, safety properties, toxicities, and interfacial properties.

Our expertise, our work, and the entire focus of our company is on physical properties. Everyday our knowledge increases. Knowledge about the properties of gases, liquids, solids, emulsions, gels, etc. Contact us to talk about how our knowledge can help in understanding your current chemical products and processes and provide ideas for improvements.

Industries Served

Most of our customers are in the specialty chemical, pharmaceutical, and traditional chemical industries. Leading companies from the food, cosmetic, flavor, fragrance, and personal care industries are also joining our list of customers.


Dr. Kevin G. Joback founded Molecular Knowledge Systems in August of 1989. Dr. Joback is an internationally recognized expert in the fields of physical property estimation and chemical product design. He has developed a number of group contribution estimation techniques now widely used throughout the chemical industry. He holds a Bachelor of Engineering from Stevens Institute of Technology, a Master of Science from MIT and a PhD from MIT. At Molecular Knowledge Systems, he has guided the design of numerous chemical products possessing improved performance and lower environmental impact. Dr. Joback is currently President of Molecular Knowledge Systems.