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 Author(s):   Randazzo, J.B.; Sivaramakrishnan, R.; Jasper, A.W.; Sikes, T.; Lynch, P.T.; Tranter, R.S.
Title:   An experimental and theoretical study of the high temperature reactions of the four butyl radical isomers
Journal:   Phys. Chem. Chem. Phys.
Volume:   22
Page(s):   18304 - 18319
Year:   2020
Reference type:   Journal article
Squib:   2020RAN/SIV18304-18319

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.

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2020RAN/SIV18304-18319   iso-C4H9 + iso-C4H9 → iso-C4H10 + Isobutene  298 - 800   1.68E-14   3.10   -1.16E04   1.79E-12  2
    2020RAN/SIV18304-18319   (CH3)2CHCH2CH2ONO → (CH3)2CHCH2CH2O· + NO  696 - 958                  1
    2020RAN/SIV18304-18319   CH3(CH2)2CH(CH3)ONO → 2-pentoxy radical + NO  716 - 967                  1
    2020RAN/SIV18304-18319   (CH3)3CCH2ONO → NO + (CH3)3CCH2O·  714 - 959                  1
    2020RAN/SIV18304-18319   1-C5H11ONO → NO + 1-C5H11O·  713 - 1007                  1
  2020RAN/SIV18304-18319   2-C3H7 + ·CH3 → iso-C4H10  300 - 2000   2.88E-11   -0.52   -1715      2
  2020RAN/SIV18304-18319   2-C3H7 + ·C2H5 → iso-C5H12  300 - 2000   2.19E-11   -0.87   -1490      2
  2020RAN/SIV18304-18319   ·CH3 + sec-C4H9 → iso-C5H12  300 - 2000   1.98E-11   -0.46   -2456      2
  2020RAN/SIV18304-18319   ·CH3 + iso-C4H9 → iso-C5H12  300 - 2000   3.55E-11   -0.39   -1720      2
  2020RAN/SIV18304-18319   ·C2H5 + 1-C4H9 → 1-C6H14  300 - 2000   3.22E-11   -0.62   -1870      2
  2020RAN/SIV18304-18319   1-C3H7 + 1-C3H7 → 1-C6H14  300 - 2000   1.50E-11   -0.71   -1916      2
  2020RAN/SIV18304-18319   iso-C4H9 + iso-C4H9 → 2,5-Dimethylhexane  300 - 2000   1.65E-11   -1.03   -1481      2
  2020RAN/SIV18304-18319   sec-C4H9 + sec-C4H9 → C2H5CH(CH3)CH(CH3)C2H5  300 - 2000   3.79E-12   -1.12   -2862      2
Search returned 13 records.