Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


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

More...


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):   Li, S.P.;Fan, W.Y.
Title:   FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical
Journal:   Chem. Phys. Lett.
Volume:   427
Page(s):   276 - 280
Year:   2006
Reference type:   Journal article
Squib:   2006LI/FAN276-280

Reaction:   CH3CN + (CH3)3CO → tert-C4H9OH + CH2CN
Reaction order:   2
Reference reaction:   (CH3)3CO → (CH3)2CO + ·CH3
Reference reaction order:   1
Temperature:   299 K
Pressure:  0.13 - 1.01 bar
Rate expression:   6.2x10-16 [cm3/molecule]
Category:  Experiment
Data type:   Relative value normalized by a reference value
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Direct photolysis
Time resolution:   By end product analysis
Analytical technique:   Fourier transform (FTIR)
Comments:   Experimental uncertainty of the rate constant value is not reported. The potential energy surface of the reaction was studied using quantum chemistry.

View full bibliographic record.