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):   Moskaleva, L.V.; Lin, M.C.
Title:   Unimolecular Isomerization/Decomposition of Cyclopentadienyl and Related Bimolecular Reverse Process: Ab Initio MO/Statistical Theory Study
Journal:   J. Comput. Chem.
Volume:   21
Page(s):   415 - 425
Year:   2000
Reference type:   Journal article
Squib:   2000MOS/LIN415-425

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
  2000MOS/LIN415-425   CyclopentadienylC2H2 + CH2=C=CH  1000 - 3000   1.47E34   -18.30   5.47E05      1
  2000MOS/LIN415-425   CyclopentadienylC2H2 + CH2=C=CH  1000 - 3000   1.53E31   -15.00   5.23E05      1
  2000MOS/LIN415-425   CyclopentadienylC2H2 + CH2=C=CH  1000 - 3000   1.96E27   -11.10   4.89E05      1
  2000MOS/LIN415-425   C2H2 + CH2=C=CHCyclopentadienyl  1000 - 3000   1.46E04   -15.70   2.00E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CHCyclopentadienyl  1000 - 3000   13.47   -12.50   1.76E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CHCyclopentadienyl  1000 - 3000   3.16E-03   -8.80   1.46E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → HC≡CCH=CHCH2·  1000 - 3000   1063   -18.20   1.90E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → HC≡CCH=CHCH2·  1000 - 3000   6358   -18.20   1.90E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → HC≡CCH=CHCH2·  1000 - 3000   1.06E06   -19.10   2.08E05      2
  2000MOS/LIN415-425   HC≡CCH=CHCH2· → C2H2 + CH2=C=CH  1000 - 3000   3.35E31   -20.60   2.88E05      1
  2000MOS/LIN415-425   HC≡CCH=CHCH2· → C2H2 + CH2=C=CH  1000 - 3000   2.09E32   -20.60   2.89E05      1
  2000MOS/LIN415-425   HC≡CCH=CHCH2· → C2H2 + CH2=C=CH  1000 - 3000   3.58E34   -21.50   3.06E05      1
  2000MOS/LIN415-425   Cyclopentadienyl → HC≡CCH=CHCH2·  1000 - 3000   3.80E38   -28.20   5.35E06      1
  2000MOS/LIN415-425   Cyclopentadienyl → HC≡CCH=CHCH2·  1000 - 3000   3.61E39   -28.10   5.46E05      1
  2000MOS/LIN415-425   Cyclopentadienyl → HC≡CCH=CHCH2·  1000 - 3000   3.59E41   -28.60   5.73E05      1
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → 1,3-cyclopentadien-2-yl  1000 - 3000   341   -16.90   2.16E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → 1,3-cyclopentadien-2-yl  1000 - 3000   0.03   -12.60   1.74E05      2
  2000MOS/LIN415-425   C2H2 + CH2=C=CH → 1,3-cyclopentadien-2-yl  1000 - 3000   4.72E-08   -7.60   3.20E05      2
  2000MOS/LIN415-425   1,3-cyclopentadien-2-yl → C2H2 + CH2=C=CH  1000 - 3000   1.06E33   -19.20   4.28E05      1
  2000MOS/LIN415-425   1,3-cyclopentadien-2-yl → C2H2 + CH2=C=CH  1000 - 3000   5.76E28   -15.00   3.86E05      1
  2000MOS/LIN415-425   1,3-cyclopentadien-2-yl → C2H2 + CH2=C=CH  1000 - 3000   1.46E23   -9.90   2.16E05      1
  2000MOS/LIN415-425   Cyclopentadienyl → 1,3-cyclopentadien-2-yl  1000 - 3000   1.74E30   -20.40   4.02E05      1
  2000MOS/LIN415-425   Cyclopentadienyl → 1,3-cyclopentadien-2-yl  1000 - 3000   3.35E30   -19.50   4.05E05      1
  2000MOS/LIN415-425   Cyclopentadienyl → 1,3-cyclopentadien-2-yl  1000 - 3000   1.29E31   -19.00   4.15E05      1

Search returned 24 records.