Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty


Administrative Links

NIST home page

MML home page

Chemical Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Cobos, C.J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A.; Troe, J.
Title:   Shock Wave and Theoretical Modeling Study of the Dissociation of CH2F2. I. Primary Processes
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   7813 - 7819
Year:   2017
Reference type:   Journal article
Squib:   2017COB/HIN7813-7819

Reaction:   CH2F2H2 + ·CF2
Reaction order:   1
Temperature:   1000 - 2500 K
Rate expression:   3.7x1014 [s-1] e-400400 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   The reaction channels of unimolecular dissociation of difluoromethane were investigated by quantum-chemical calculations and unimolecular rate theory. Falloff parameterization is provided.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1000 4.51E-7
1100 3.59E-5
1200 1.38E-3
1300 3.02E-2
1400 4.26E-1
1500 4.22E0
1600 3.14E1
1700 1.84E2
1800 8.89E2
1900 3.64E3
2000 1.29E4
2100 4.06E4
2200 1.15E5
2300 2.99E5
2400 7.14E5
2500 1.59E6