MOLINSTINCTS Product Summary

Mol-Instincts is…

A database providing thermo-physico-chemical & transport properties and fundamental molecular information of pure compounds.

Compounds Available:

More than 2.5 million compounds including:

  • Hydrocarbons, hetero-compounds (including atoms other than C and H), free radicals, and drug-like compounds
  • Compounds included in fuels such as gasoline, jet-fuel, diesel, and biodiesel
  • Compounds included in chemical processes such as thermal cracking, catalytic cracking, hydrocracking, desulfurization, isomerization,
    catalytic reforming, combustion, gas-to-liquid (GTL), coal-to-liquid (CTL), and methanol-to-olefin/gasoline (MTO/MTG)

Limitation: The maximum number of carbon atoms currently up to 57 (mostly to 25). Pure compounds with C, H, N, O, and S atoms only.

Property Data & Molecular Information Available:

More than 10 billion sets of data and information including:

View Accuracy(Login required)

How Mol-Instincts Developed?

All the data and information were determined by…

The most advanced technology based on quantum mechanics, QSPR (Quantitative Structure–Property Relationships), and/or ANN (Artificial Neural Network) followed by 5+ years of professional verification with the corresponding experimental data available to date.

View Plans and Pricing

View Tutorial Video

How to access Mol-Instincts database…

Download and install Mol-Instincts Navigator software, which connects you to the Mol-Instincts database server online worldwide. Search all the compound list . Play with the 20 pre-determined demo compounds plus 10 compounds at your own choice (free). Then, choose a subscription plan fits for your purpose.

 

Accuracy of  Data

  • Constant Properties, entropy, enthalpy, refraction, ionization energy, flash point, solubility, polarization, vapor pressure, heat of vaporization
  • T-dependent Properties, surface tension, thermal conductivity
  • Spectroscopy, ir spectroscopy, nmr spectroscopy, infrared spectroscopy, radius of gyration
  • Compared to Other pproaches, estimation technology, chemical property, chemical structure, Chemical Analysis

Accurate Chemical property data

Reliable Molecular information
  • Accuracy of chemical molecular information

    Is MOL-Instincts reliable? This is certainly one of the most important questions, and we want to answer it not by a simple word, ‘yes’, but by demonstrating the accuracy with data. The demonstration is therefore presented with a fraction of experimental data we have and with a few other well-known approaches.

    The verification of the MOL-Instincts values with experimental data was critical to our own applications as well, which took a lot more time and effort than developing the estimation technologies themselves.

  • The experimental data were collected from many different sources, including technical journals, scientific books, commercial database, and websites. Millions of data points have been collected for more than 5 years, and 30+ scientific staff inspected, analyzed, and refined the data. Only the final refined data were used for the verification of the estimated values.

    Click the items below to view the pages.

  • Constant Properties, entropy, enthalpy, refraction, ionization energy, flash point, solubility, polarization, vapor pressure, heat of vaporization
  • T-dependent Properties, surface tension, thermal conductivity
  • Spectroscopy, ir spectroscopy, nmr spectroscopy, infrared spectroscopy, radius of gyration
  • Compared to Other pproaches, estimation technology, chemical property, chemical structure, Chemical Analysis
  • Accuracy Verification Example