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 Author(s):   Dubnikova, F.; Tamburu, C.; Lifshitz, A.
Title:   Production of Aliphatic and Aromatic Compounds in the High Temperature Decomposition of Propargyl Chloride. Single Pulse Shock Tube Experiments, Quantum Chemical Calculations, and Computer Modeling
Journal:   J. Phys. Chem. A
Volume:   123
Page(s):   811 - 822
Year:   2019
Reference type:   Journal article
Squib:   2019DUB/TAM811-822

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
  2019DUB/TAM811-822   CH2ClC≡CH + ·Cl → ·CHClC≡CH + HCl  1000 - 1350   5.81E-14       5000      2
  2019DUB/TAM811-822   CH2=C=CHCHClC≡CH → CH2=CClCH=CHC≡CH  1000 - 1350   2.76E13       2.01E05      1
  2019DUB/TAM811-822   CH2=CClCH=CHC≡CH → 1-chloro-2,4,5-cyclohexatriene  1000 - 1350   2.62E11       1.40E05      1
  2019DUB/TAM811-822   1-chloro-2,4,5-cyclohexatriene → cyc-CH2CCHCHCClCH  1000 - 1350   1.13E14       1.54E05      1
  2019DUB/TAM811-822   cyc-CH2CCHCHCClCH → Chlorobenzene  1000 - 1350   5.03E12       1700      1
  2019DUB/TAM811-822   CH2=C=CHCH=C=CHCl → CH≡CCH=CHCH=CHCl  1000 - 1350   1.42E12       1.56E05      1
  2019DUB/TAM811-822   CH≡CCH=CHCH=CHCl → 1-chloro-2,3,5-cyclohexatriene  1000 - 1350   1.92E11       1.78E05      1
  2019DUB/TAM811-822   1-chloro-2,3,5-cyclohexatriene → Chlorobenzene  1000 - 1350   1.30E12       1.88E05      1
  2019DUB/TAM811-822   CHCl=C=CHCHClC≡CH → CHCl=CClCH=CClC≡CH  1000 - 1350   1.13E12       1.95E05      1
  2019DUB/TAM811-822   ·CHClC≡CH + ·CHClC≡CH → CHCl=C=CHCH=C=CHCl  1000 - 1350   1.66E-12              2
  2019DUB/TAM811-822   CHCl=C=CHCH=C=CHCl → CHCl=CClCH=CClC≡CH  1000 - 1350   2.21E13       2.05E05      1
  2019DUB/TAM811-822   CHCl=CClCH=CClC≡CH → 1,2-dichloro-2,4,5-cyclohexatriene  1000 - 1350   6.66E11       1.59E05      1
  2019DUB/TAM811-822   1,2-dichloro-2,4,5-cyclohexatriene → cyc-CHClCCHCHCClCH  1000 - 1350   4.39E13       5.06E04      1
  2019DUB/TAM811-822   cyc-CHClCCHCHCClCH → 1,3-dichlorobenzene  1000 - 1350   3.08E12       2.55E04      1
  2019DUB/TAM811-822   cyc-CHClCCHCHCClCH → 1,4-dichlorobenzene  1000 - 1350   2.36E12       4.27E04      1
  2019DUB/TAM811-822   cyc-CHClCCHCHCClCH → cyc-CHClCClCHCHCCH  1000 - 1350   9.37E12       1.39E05      1
  2019DUB/TAM811-822   cyc-CHClCClCHCHCCH → 1,2-dichlorobenzene  1000 - 1350   5.30E12       6300      1
  2019DUB/TAM811-822   CH2=C=CHCH=C=CH2 → 1,3-Hexadien-5-yne  1000 - 1350   2.18E12       1.65E05      1
  2019DUB/TAM811-822   1,3-Hexadien-5-yne → 2,4,5-cyclohexatriene  1000 - 1350   7.08E11       1.49E05      1
  2019DUB/TAM811-822   2,4,5-cyclohexatriene → Benzene  1000 - 1350   1.20E12       1700      1
  2019DUB/TAM811-822   (Z)-3,5-Hexadien-1-yne → (E)-3,5-Hexadien-1-yne  1000 - 1350   2.35E13       1.94E05      1
  2019DUB/TAM811-822   CHCl=C=CHCHClC≡CH → CHCl=C=CHC(·)HC≡CH + ·Cl  1000 - 1350   2.50E14       1.99E05      1
  2019DUB/TAM811-822   CHCl=C=CHC(·)HC≡CH → (E)-HC≡CCH=CHC≡CH + ·Cl  1000 - 1350   7.50E14       1.51E05      1
  2019DUB/TAM811-822   (E)-HC≡CCH=CHC≡CH → p-C6H4  1000 - 1350   6.52E11       1.12E05      1
  2019DUB/TAM811-822   Benzyne → m-Benzyne  1000 - 1350   2.88E14       1.42E05      1
  2019DUB/TAM811-822   m-Benzyne → Benzyne  1000 - 1350   7.05E13       2.36E05      1
  2019DUB/TAM811-822   ·CH=CClCH=CHC≡CH → HCCCl + HCCCHCH·  1000 - 1350   5.43E15       1.66E05      1
  2019DUB/TAM811-822   HCCCl + H· → C2H2 + ·Cl  1000 - 1350   9.96E-12       2.59E04      2
  2019DUB/TAM811-822   CH2ClC≡CH + ·CH2C≡CH → ·CHClC≡CH + CH3CCH  1000 - 1350   9.96E-12       2.59E04      2
  2019DUB/TAM811-822   CH3CCH + ·Cl → ·CH2C≡CH + HCl  1000 - 1350   8.30E-13       1.84E04      2
  2019DUB/TAM811-822   CH3CCH + H· → H2 + ·CH2C≡CH  1000 - 1350   1.99E-10       4200      2
  2019DUB/TAM811-822   CH2ClC≡CH + H· → CH2Cl-CH=CH·  1000 - 1350   1.66E-09       2.55E04      2
  2019DUB/TAM811-822   CH2Cl-CH=CH· → C2H2 + ·CH2Cl  1000 - 1350   2.20E15       1.45E05      1
  2019DUB/TAM811-822   ·CH2C≡CH + ·CH2Cl → 1-chloro-2,3-butadiene  1000 - 1350   1.66E-11              2
  2019DUB/TAM811-822   1-chloro-2,3-butadiene → Vinylacetylene + HCl  1000 - 1350   5.18E13       1.97E05      1
  2019DUB/TAM811-822   1-chloro-2,3,5-cyclohexatriene → Phenyl + ·Cl  1000 - 1350   1.00E15       7.53E04      1
  2019DUB/TAM811-822   Phenyl → Benzyne + H·  1000 - 1350   4.28E14       3.11E05      1
  2019DUB/TAM811-822   2-Phenylethenyl → C2H2 + Phenyl  1000 - 1350   1.61E16       1.52E05      1
  2019DUB/TAM811-822   2-Phenylethenyl → Phenylacetylene + H·  1000 - 1350   2.23E12       4.60E04      1
  2019DUB/TAM811-822   HCCCl + Phenyl → 2-Phenyl-2-chloroethyl  1000 - 1350   6.64E-11       6300      2
  2019DUB/TAM811-822   2-Phenyl-2-chloroethyl → Phenylacetylene + ·Cl  1000 - 1350   2.28E13       4.23E04      1
  2019DUB/TAM811-822   Phenylallene + ·Cl → 2-C6H4CHCCH2 + HCl  1000 - 1350   1.66E-10       4.77E04      2
  2019DUB/TAM811-822   Benzyne + ·CH2C≡CH → 2-C6H4CHCCH2  1000 - 1350   1.66E-13       1.67E04      2
  2019DUB/TAM811-822   2-C6H4CHCCH2 → 2-indenyl  1000 - 1350   1.22E12       6.95E04      1
  2019DUB/TAM811-822   2-indenyl + H· → Indene  1000 - 1350   1.66E-10              2
  2019DUB/TAM811-822   2-indenyl + CH2ClC≡CH → ·CHClC≡CH + Indene  1000 - 1350   1.66E-12       800      2
Search returned 46 records.