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



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):   Peukert, S. L.; Sivaramakrishnan, R.; Michael, J. V.
Title:   High temperature rate constants for H/D plus n-C4H10 and i-C4H10
Journal:   Proc. Combust. Inst.
Volume:   35
Page(s):   171 - 179
Year:   2015
Reference type:   Journal article
Squib:   2015PEU/SIV171-179

Reaction:   iso-C4H10 + D → Products
Reaction order:   2
Temperature:   1063 - 1327 K
Pressure:  0.51 bar
Rate expression:   2.57x10-9 [cm3/molecule s] e-48207 [J/mole]/RT
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   None reported
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   D-atom profiles were measured behind reflected shock waves using D-atom atomic resonance absorption spectrometry (ARAS). Ab initio based transition state theory kinetics predictions for the isotope effects, kD/kH, are near unity. Therefore, the quoted expression can be usid for the H atom reaction as well.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1063 1.10E-11
1075 1.17E-11
1100 1.32E-11
1125 1.48E-11
1150 1.66E-11
1175 1.85E-11
1200 2.05E-11
1225 2.26E-11
1250 2.49E-11
1275 2.72E-11
1300 2.97E-11
1325 3.23E-11
1327 3.25E-11