Irreversible reaction

Wurtz coupling of the Grignard reagent with methyl bromide

CH3BrMg+CH3BrC2H6+MgBr2

Direction
Irreversible
Processes
1
Stated as
Rate law
Heat of reaction
ΔH = -283,200 kJ/kmol (one process)
Element balance
Checked: balances
As the processes state itStoichiometry, conversions, heats of reaction and catalyst windows are taken from each process's files with their provenance. The build checks only that each process's equation balances in every element, from the process's own component formulas; it does not check the numbers. A process's design maturity applies to them.

Species

SpeciesNameCASRoleCoefficient
CH3BrMgMethylmagnesium bromide75-16-1reactant-1
CH3BrBromomethane (methyl bromide)74-83-9reactant-1
C2H6Ethane74-84-0product1
MgBr2Magnesium bromide7789-48-2product1

In the processes

  • Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 t/a)Concept · not reviewed

    WURTZ · Wurtz coupling of the Grignard reagent with methyl bromideCH3MgBr + CH3Br → C2H6 + MgBr2

    Stated as
    Rate law
    Phase
    liquid
    Element balance
    Balances in every element
    Heat of reaction
    ΔH = -283,200 kJ/kmol at 298.15 K, as written (assumed: derived from Holm (1981) via the NIST WebBook and thermo's gas formation enthalpies, gaseous methyl bromide and ethane (my arithmetic, D-005); to be measured)
    Rate law
    basis: volume; driving: concentration; form: power_law; k: {"A":369.4,"Ea":40000}; orders: {"MEBR":1,"MEMGBR":1}; temperature range: 298.15 – 338.15 (assumed: ASSUMED (D-005): set so that about 1 % of the methyl bromide couples at the base rate; no open selectivity for methyl bromide found)

Sources

What the processes cite for this reaction, each source once: for the reaction itself, its conversion, its heat of reaction or its catalyst. As the processes write them; DOIs, US patent numbers and web addresses are linked.

  1. Fraunhofer IMM (2020), Scalable continuous Grignard reagent formation, flyer p. 1 (Wurtz coupling as the side reaction)

    For the reaction · cited by Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 t/a)

  2. derived from Holm (1981) via the NIST WebBook and thermo's gas formation enthalpies, gaseous methyl bromide and ethane (my arithmetic, D-005); to be measured

    For the heat of reaction · cited by Methylmagnesium bromide in 2-MeTHF by semi-batch Grignard reaction with methyl bromide gas dosing (4400 t/a)