Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

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

NIST home page

MML home page

Chemical Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Kjaergaard, H.G.; Knap, H.C.; Ornso, K.B.; Jorgensen, S.; Crounse, J.D.; Paulot, F.; Wennberg, P.O.
Title:   Atmospheric Fate of Methacrolein. 2. Formation of Lactone and Implications for Organic Aerosol Production
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   5763 - 5768
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012KJA/KNA5763-5768

Reaction:   ·OH + 1-(Nitroperoxy)-2-propen-1-one → HOCH2CHO + CO + NO3
Reaction order:   2
Reference reaction:   ·OH + 1-(Nitroperoxy)-2-propen-1-one → Products
Reference reaction order:   2
Temperature:   298 K
Rate expression:   6.4x10-1
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
Comments:   Reaction potential energy surface was studied using quantum chemistry and reaction channels were analyzed. Branching fractions were calculated using master equation.

View full bibliographic record.