 |
Home ©NIST, 2023 Accessibility information |
Contact Us to Submit an Article
Other Databases
NIST Standard Reference Data Program
NDRL-NIST Solution Kinetics Database
NIST Computational Chemistry Comparison and Benchmark Database
The NIST Reference on Constants, Units, and Uncertainty
Administrative Links
Title: A model for prediction of product distributions for the reactions of phenol derivatives with hydroxyl radicals
Journal: Chemosphere
Volume: 69
Page(s): 1396 - 1408
Year: 2007
Reference type: Journal article
Squib: 2007KIL/KOC1396-1408
Reaction:
1,2-Dihydroxybenzene + ·OH → 4-Hydroxyphenoxy + H2O
Reaction order:
2
Temperature:
300
K
Rate expression:
1.23x10-20 [cm3/molecule s]
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure independent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constant was calculated using transition state theory.
View full bibliographic record.