Irreversible reaction

Potassium with tert-butanol to potassium tert-butoxide and hydrogen

2K+2C4H10O2C4H9KO+H2

Direction
Irreversible
Processes
1
Stated as
Rate law
Heat of reaction
ΔH = -270,000 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
KPotassium7440-09-7reactant-2
C4H10Otert-Butanol (2-methylpropan-2-ol)75-65-0reactant-2
C4H9KOPotassium tert-butoxide865-47-4product2
H2Hydrogen1333-74-0product1

In the processes

  • Potassium tert-butoxide from potassium and dry tert-butanol, semi-batch with alcohol strip and vacuum drying (1000 t/a)Concept · not reviewed

    KTBA · Potassium with tert-butanol to potassium tert-butoxide and hydrogenK + (CH3)3COH → (CH3)3COK + 1/2 H2

    Scale
    Written at 0.5 times the scale
    Stated as
    Rate law
    Phase
    liquid
    Element balance
    Balances in every element
    Heat of reaction
    ΔH = -135,000 kJ/kmol at 298.15 K, as written (assumed: ASSUMED (D-005): no open formation enthalpy of potassium tert-butoxide or calorimetry of the reaction; of the order of its analogues from the formation enthalpies packaged in chemicals 1.5.2: Na + CH3OH(l) -> NaOCH3(s) + 1/2 H2, -136.0 kJ/mol (NaOCH3 -374.4, NIST WebBook; methanol -238.4), and K + H2O(l) -> KOH(s) + 1/2 H2, -138.8 kJ/mol (KOH -424.6, CRC; water -285.8), H2 as a gas; taken at -135 kJ/mol for the dissolved alkoxide, its heat of solution unknown)
    Rate law
    basis: volume; driving: concentration; form: power_law; k: {"A":3010,"Ea":40000}; orders: {"K":1}; temperature range: 336.65 – 365 (assumed: ASSUMED effective rate of the molten metal dispersed by the agitator (D-005): a time constant of about 6 min, so that the dosing controls the heat release; Organic Syntheses (Coll. Vol. 5, 1060) has the dispersed molten potassium dissolve in refluxing tert-butanol at a rate set by the stirring, and Coll. Vol. 4, 132 needs more than 4 h for undispersed pieces; to be replaced by reaction calorimetry)

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. Organic Syntheses, Coll. Vol. 5, p. 1060 (1973): 100 g potassium in 1250 mL dry tert-butanol under nitrogen, warms to the metal's melting point, disperses, and dissolves at a rate regulated by the stirring, the alcohol refluxing

    For the reaction · cited by Potassium tert-butoxide from potassium and dry tert-butanol, semi-batch with alcohol strip and vacuum drying (1000 t/a)

  2. Organic Syntheses, Coll. Vol. 4, p. 132 (1963): potassium in dry tert-butanol boiled under reflux until dissolved, hydrogen liberated

    For the reaction · cited by Potassium tert-butoxide from potassium and dry tert-butanol, semi-batch with alcohol strip and vacuum drying (1000 t/a)

  3. ASSUMED (D-005): no open formation enthalpy of potassium tert-butoxide or calorimetry of the reaction; of the order of its analogues from the formation enthalpies packaged in chemicals 1.5.2: Na + CH3OH(l) -> NaOCH3(s) + 1/2 H2, -136.0 kJ/mol (NaOCH3 -374.4, NIST WebBook; methanol -238.4), and K + H2O(l) -> KOH(s) + 1/2 H2, -138.8 kJ/mol (KOH -424.6, CRC; water -285.8), H2 as a gas; taken at -135 kJ/mol for the dissolved alkoxide, its heat of solution unknown

    For the heat of reaction · cited by Potassium tert-butoxide from potassium and dry tert-butanol, semi-batch with alcohol strip and vacuum drying (1000 t/a)