Irreversible reaction

C9H12O2C6H6O+C3H6O

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -234,070 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
C9H12O2Cumene hydroperoxide80-15-9reactant-1
C6H6OPhenol108-95-2product1
C3H6OAcetone67-64-1product1

In the processes

  • Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)Concept · not reviewed

    CLEAVAGEC9H12O2 → C6H6O + C3H6O (acid-catalysed Hock cleavage)

    Stated as
    Fixed conversion
    Element balance
    Balances in every element
    Conversion
    100 % of CHP (assumed: D-005: cleavage fast and essentially complete (US 5,245,090 background))
    Heat of reaction
    ΔH = -234,070 kJ/kmol at 298.15 K, as written (given: CALCULATED from ideal-gas dHf CRC/ATcT (phenol -96.4, acetone -216.07, CHP -78.4 kJ/mol) via cheme chemistry thermo)
    Catalyst
    sulfuric acid (homogeneous)

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. BREF LVOC 2017 section 8.2.2.3

    For the reaction · cited by Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)

  2. D-005: cleavage fast and essentially complete (US 5,245,090 background)

    For the conversion · cited by Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)

  3. CALCULATED from ideal-gas dHf CRC/ATcT (phenol -96.4, acetone -216.07, CHP -78.4 kJ/mol) via cheme chemistry thermo

    For the heat of reaction · cited by Acetone and phenol from cumene (cumene hydroperoxide route, 200 kt/a phenol)