NIST chemistry webbook (Online)Information in the database includes: thermochemical data (enthalpy of formation, enthalpy of combustion, heat capacity, entropy, phase transition enthalpies and temperatures, vapor pressure), reaction thermochemistry data (enthalpy of reaction, free energy of reaction), IR spectra for over 7,500 compounds, mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, electronic and vibrational spectra for over 3,000 compounds, constants of diatomoic molecules, ion energetics data for over 14,000 compounds (ionization energy, appearance energy, electron affinity, proton affinity), and thermophysical property data for 16 fluids.