Kinetics Database Logo     Home
©NIST, 2022
Accessibility information
Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Contact Us to Submit an Article

Citation

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

DOC home page

NIST home page

MML home page

Chemical Sciences Division

Applied Chemicals and Materials Division

Author(s):   Randazzo, J.B.; Sivaramakrishnan, R.; Jasper, A.W.; Sikes, T.; Lynch, P.T.; Tranter, R.S.
Title:   An experimental and theoretical study of the high temperature reactions of the four butyl radical isomers
Journal:   Phys. Chem. Chem. Phys.
Volume:   22
Page(s):   18304 - 18319
Year:   2020
Reference type:   Journal article
Squib:   2020RAN/SIV18304-18319

Reaction:   iso-C4H9 + iso-C4H9iso-C4H10 + Isobutene
Reaction order:   2
Temperature:   298 - 800 K
Rate expression:   1.68x10-14 [cm3/molecule s] (T/298 K)3.10 e11557 [J/mole]/RT
Category:  Experiment
Data type:   Experimental value and limited review
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Laser schlieren
Comments:   A combination of high-temperature experimental result and theoretical capture rate constants of the current study and low-temperature literature values.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
298 1.79E-12
300 1.77E-12
350 1.47E-12
400 1.35E-12
450 1.33E-12
500 1.35E-12
550 1.41E-12
600 1.50E-12
650 1.60E-12
700 1.73E-12
750 1.88E-12
800 2.04E-12