Irreversible reaction

Carbonation of potassium tert-butoxide

C4H9KO+CO2KTBC

Direction
Irreversible
Processes
1
Stated as
Rate law
Heat of reaction
ΔH = -55,000 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
C4H9KOPotassium tert-butoxide865-47-4reactant-1
CO2Carbon dioxide124-38-9reactant-1
KTBCPotassium tert-butyl carbonate (suspended)none (not merged across processes)product1

In the processes

  • Di-tert-butyl dicarbonate by semi-batch carbonation and phosgenation of potassium tert-butoxide (500 t/a)Concept · not reviewed

    CARB · Carbonation of potassium tert-butoxide(CH3)3COK + CO2 → (CH3)3COC(O)OK

    Stated as
    Rate law
    Phase
    liquid
    Element balance
    Balances in every element
    Heat of reaction
    ΔH = -55,000 kJ/kmol at 298.15 K, as written (assumed: ASSUMED (D-005, D-015), CO2 dissolved: -70 kJ/mol with CO2 as a gas (the carboxylation of an alkali alkoxide is exothermic; EP 0 256 559 A2 cools the carbonation to 5 C; no calorimetric value found openly) less the dose's heat of absorption, -15 kJ/mol, which R101's dose releases as the CO2 dissolves (core ADR 0063))
    Rate law
    basis: volume; driving: concentration; form: power_law; k: {"A":"1.6254e6","Ea":40000}; orders: {"CO2":1,"KOTBU":1}; temperature range: 263.15 – 303.15 (assumed: ASSUMED fast effective rate of the suspended alkoxide with the dissolved CO2 (D-005): no open kinetics found (2026-11-06))

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. EP 0 256 559 A2, Example 1: CO2 introduced over 3 h at 5 C into potassium tert-butoxide with DABCO, giving the potassium tert-butyl carbonate as a slurry

    For the reaction · cited by Di-tert-butyl dicarbonate by semi-batch carbonation and phosgenation of potassium tert-butoxide (500 t/a)

  2. US 5 151 542 A, Example 1: CO2 bubbled into potassium tert-butoxide in hexane at 15-25 C over 2 h

    For the reaction · cited by Di-tert-butyl dicarbonate by semi-batch carbonation and phosgenation of potassium tert-butoxide (500 t/a)

  3. ASSUMED (D-005, D-015), CO2 dissolved: -70 kJ/mol with CO2 as a gas (the carboxylation of an alkali alkoxide is exothermic; EP 0 256 559 A2 cools the carbonation to 5 C; no calorimetric value found openly) less the dose's heat of absorption, -15 kJ/mol, which R101's dose releases as the CO2 dissolves (core ADR 0063)

    For the heat of reaction · cited by Di-tert-butyl dicarbonate by semi-batch carbonation and phosgenation of potassium tert-butoxide (500 t/a)