Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


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

NIST home page

MML home page

Chemical Sciences Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Sun, H.;Tang, Y.Z.;Wang, Z.L.;Pan, X.M.;Li, Z.S.;Wang, R.S.
Title:   DFT study on the mechanisms of the CH2CO + NCX (X = O, S) reactions
Journal:   J. Mol. Struct. Theochem
Volume:   757
Page(s):   143 - 148
Year:   2005
Reference type:   Journal article
Squib:   2005SUN/TAN143-148

Associated entries:

Search Results

Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

Use the Plot checkboxes to select data for plotting. Plot selected data using the "Create Plot" button. Click the squib to see extra information about a particular rate constant. Additional help is available.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
    2005SUN/TAN143-148   H2C=C=O + NCOHN=C=O + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → HC-N=O + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCOHO-C≡N + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → CH2NCO + CO                     2
    2005SUN/TAN143-148   H2C=C=O + NCO → CH2OCN + CO                     2
    2005SUN/TAN143-148   H2C=C=O + SCNCHNS + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → HSCN + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → HNCS + HCCO                     2
    2005SUN/TAN143-148   H2C=C=O + SCN → CH2NCS + CO                     2
    2005SUN/TAN143-148   H2C=C=O + SCNCOS + CH2CN                     2

Search returned 10 records.