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):   Vereecken, L.; Bettinger, H.F.; Peeters, J.
Title:   Reactions of Chemically Activated C9H9 Species. Part I. The Product Distribution of the Reaction of Phenyl Radicals with Propyne
Journal:   Phys. Chem. Chem. Phys.
Volume:   4
Page(s):   2019 - 2027
Year:   2002
Reference type:   Journal article
Squib:   2002VER/BET2019-2027

Reaction:   CH3CCH + Phenyl → Products
Reaction order:   2
Temperature:   200 - 2000 K
Rate expression:   1.19x10-13 [cm3/molecule s] (T/298 K)2.55 e-11544 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit
Comments:   Transition state theory calculations.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 4.15E-17
300 1.18E-15
400 7.81E-15
500 2.76E-14
600 6.97E-14
700 1.44E-13
800 2.59E-13
900 4.23E-13
1000 6.46E-13
1100 9.34E-13
1200 1.29E-12
1300 1.73E-12
1400 2.26E-12
1500 2.88E-12
1600 3.60E-12
1700 4.42E-12
1800 5.35E-12
1900 6.39E-12
2000 7.55E-12