Kinetics Database Logo     Home
©NIST, 2023
Accessibility information
Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Contact Us to Submit an Article



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

DOC home page

NIST home page

MML home page

Chemical Sciences Division

Applied Chemicals and Materials Division

Author(s):   Friese, P.; Simmie, J. M.; Olzmann, M.
Title:   The reaction of 2,5-dimethylfuran with hydrogen atoms - An experimental and theoretical study
Journal:   Proc. Combust. Inst.
Volume:   34
Page(s):   233 - 239
Year:   2013
Reference type:   Journal article
Squib:   2013FRI/SIM233-239

Reaction:   1,4-epoxy-1,4-dimethyl-1-buten-3-yl radical → 2-Methylfuran + ·CH3
Reaction order:   1
Temperature:   950 - 1250 K
Rate expression:   5.01x1014 [s-1] e-141300 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
950 8.53E6
975 1.35E7
1000 2.09E7
1025 3.16E7
1050 4.68E7
1075 6.83E7
1100 9.78E7
1125 1.38E8
1150 1.91E8
1175 2.62E8
1200 3.54E8
1225 4.73E8
1250 6.24E8