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Purchase and Download

Effective immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via UPS International. Customer will be responsible for their own duties, tax, and VAT. Contact (844) 374-0183 (Toll Free), or data [at] (data[at]nist[dot]gov) if you have questions.  Payment Instructions

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The database numbers are an indication only of the order in which these products were developed.






NIST/EPA/NIH Mass Spectral Library with Search Program (Data Version: NIST 20, Software Version 2.4)

This database is the product of an ongoing comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.  Read More

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NIST Thermophysical Properties of Hydrocarbon Mixtures, Version 3.2  

SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components.  Read More


SRD 10

NIST/ASME Steam Properties Database: Version 3.0

Based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for general and scientific use for the thermodynamic properties of water, this updated version provides water properties from the international standards over a wide range of conditions.  Read More


SRD 23

NIST Reference Fluid Thermodynamic and Transport Properties Database: Version 10

REFPROP is an acronym for REFerence fluid PROPerties. This program calculates the thermodynamic and transport properties of industrially important fluids and their mixtures. These properties can be displayed in tables and plots through the graphical user interface; they are also accessible through spreadsheets or user-written applications accessing the REFPROP DLL or the FORTRAN property subroutines . REFPROP is based on the most accurate pure fluid and mixture models currently available.   Read More


SRD 31

NIST-ACerS Phase Equilibria Diagrams Database

Phase Equilibria Diagrams, (Standard Reference Database SRD 31), published from 1964 to 1992 as the well-known Phase Diagrams for Ceramists "blue books", is the result of a long-standing collaboration between NIST and The American Ceramic Society to develop and maintain a state-of-the-art database of critically evaluated phase equilibria data for industrial and academic customers.  Read More


SRD 35

NIST/EPA Gas-Phase Infrared; JCAMP Format

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data "Data Exchange") format. Chemical structures are provided in the MOL-file format. The IR data originated from two sources, from the so-called "EPA Vapor-Phase IR Library" and from NIST laboratories. Read More


SRD 49

NIST Vapor Compression Cycle Design Program: Version 6.0, CYCLE_D

CYCLE_D simulates vapor compression refrigeration cycles that use single-compound refrigerants or refrigerant blends. The model can simulate a basic subcritical or transcritical refrigeration cycle, both with or without a liquid-line/suction-line heat exchanger. In addition, the model can simulate a subcritical two-stage economizer cycle, a subcritical three-stage economizer cycle, and a subcritical two-stage compression cycle with intercooling.  CYCLE_D includes 70 single-compound refrigerants and 97 predefined blends. Single-compound fluids can be combined to form blends of up to five components. Read More


SRD 73

NIST REFLEAK: NIST Leak/Recharge Simulation Program for Refrigerant Blends: Version 5.0

REFLEAK estimates composition changes of zeotropic mixtures in leak and recharge processes. The leak/recharge simulation program consists of three parts: 1) the pre-processing section for inputting required data, 2) the computation section which simulates leak/recharge processes, and,3) the post-processing section to display calculated results and to print or store data and graphs. Read More


SRD 83

NIST Structural Database

The NIST Structural Database contains crystallographic and atomic position information for metallic crystalline substances, including alloys, intermetallics and minerals. About half of the entries represent experimentally refined structures; in the remaining half, the structure type has been published by the authors or editorially assigned (the atomic parameters of the structure type may be assumed as a first approximation).  Read More


SRD 84

FIZ/NIST Inorganic Crystal Structure Database (ICSD)

The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 120,000 entries and covering the literature from 1913 to the present. The database has a Windows-based graphical user interface which is tabular in design and allows for searching in four general categories of Chemistry, Crystal Data, Reduced Cell Symmetry and Reference Data. It includes enhanced features for the characterization of materials based on lattice and chemistry search modules and 3-dimensional visualization and powder pattern simulation of inorganic structures.  Read More


SRD 100

NIST/Simulation of Electron Spectra for Surface Analysis (SESSA) Database

SESSA can be used to simulate AES and XPS spectra of nanostructures such as islands, lines, spheres, and layered spheres on surfaces. As for earlier versions, such simulations can be performed for multilayer films. Users can specify the compositions and dimensions of each material in the sample structure as well as the measurement configuration, and the simulated spectra can be compared with measured spectra. Compositions and dimensions can then be adjusted to find maximum consistency between simulated and measured spectra.  Read More


SRD 103a

NIST/ThermoData Engine Database - Pure Compounds

The NIST/TRC SOURCE data archival system, currently containing approximately 5.8 million experimental data points, is used in conjunction with ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data. Currently, this database contains property data for approximately 23,000 pure compounds.  

The scope of the NIST Standard Reference Database 103a is pure compounds only.  Read More


SRD 103b

NIST/ThermoData Engine Database - Pure Compounds and Binary Mixtures

The NIST/TRC SOURCE data archival system, currently containing approximately 5.8 million experimental data points, is used in conjunction with ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data. 

The scope of the NIST Standard Reference Database 103b is pure compounds, binary mixtures, ternary mixtures, and chemical reactions.   Read More


SRD 202

NIST/TRC Web Thermo Tables (WTT) - Lite

This web application provides access to a collection of critically evaluated thermodynamic property data for pure compounds with a primary focus on organics. These data were generated through dynamic data analysis, as implemented in the NIST ThermoData Engine software package. As of November, 2010, WTT - Lite Edition contains information on 150 commonly-used compounds and access to a total of 86407 evaluated experimental data points.  Read More

SRD 203

NIST/TRC Web Thermo Tables (WTT) - Professional Edition

WTT - Professional Edition contains information on 23399 compounds and access to a total of 512538 evaluated experimental data points. This product also provides critically evaluated data for some non-molecular species such as radicals and organic salts carried from the TRC Thermodynamic Tables published from 1942-2009.  Read More






Created August 30, 2010, Updated November 2, 2021