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 and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Giri, B.R.;Tranter, R.S.
Title:   Dissociation of 1,1,1-trifluoroethane behind reflected shock waves: Shock tube/time-of-flight mass spectrometry experiments
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   1585 - 1592
Year:   2007
Reference type:   Journal article
Squib:   2007GIR/TRA1585-1592

Reaction:   CH3CF3CH2=CF2 + HF
Reaction order:   1
Temperature:   1500 - 2400 K
Pressure:  0.13 - 1.60 bar
Rate expression:   2.52x1021 [s-1] (T/298 K)-9.34 e-328444 [J/mole]/RT
Category:  Review
Data type:   Experimental value and limited review
Pressure dependence:   Rate constant is pressure dependent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Mass spectrometry
Comments:   Shock-tube/time of flight mass spectrometry set-up. Rate constant is pressure dependent; the fit is applicable only for the specific pressures and temperatures of the experiments, which ranged from P = 100 - 1200 Torr and T = 1500 - 2400 K. Individual rate data at specific T and P are tabulated in the supporting data of the article.

The rate expression is obtained from fitting data from the current work together with those of an earlier laser-schlieren/shock tube experiment. The rate expression is given for the combined temperature and pressure ranges of two studies.

Results were fit with both an RRKM and non-RRKM model. Both models did approximately equally well in describing the results.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1500 2.56E3
1550 4.41E3
1600 7.26E3
1650 1.15E4
1700 1.76E4
1750 2.61E4
1800 3.76E4
1850 5.26E4
1900 7.20E4
1950 9.62E4
2000 1.26E5
2050 1.62E5
2100 2.05E5
2150 2.54E5
2200 3.12E5
2250 3.77E5
2300 4.49E5
2350 5.30E5
2400 6.17E5