Irreversible reaction

Methanol, red phosphorus and iodine to iodomethane and phosphorous acid (via PI3)

6CH4O+2P+3I26CH3I+2H3O3P

Direction
Irreversible
Processes
1
Stated as
Rate law
Heat of reaction
ΔH = -540,000 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
CH4OMethanol67-56-1reactant-6
PPhosphorus7723-14-0reactant-2
I2Iodine7553-56-2reactant-3
CH3IIodomethane (methyl iodide)74-88-4product6
H3O3PPhosphorous acid (phosphonic acid)13598-36-2product2

In the processes

  • Iodomethane from methanol, red phosphorus and iodine, batch reflux reaction and batch distillation (500 t/a)Concept · not reviewed

    MEI · Methanol, red phosphorus and iodine to iodomethane and phosphorous acid (via PI3)6 CH4O + 2 P + 3 I2 → 6 CH3I + 2 H3PO3

    Stated as
    Rate law
    Phase
    liquid
    Element balance
    Balances in every element
    Heat of reaction
    ΔH = -540,000 kJ/kmol at 298.15 K, as written (assumed: derived from the CRC standard formation enthalpies packaged in chemicals 1.5.2 (6 x -13.6 + 2 x -964.4 - 6 x -239.2 = -575.2 kJ) and red phosphorus at -17.6 kJ/mol (Wikipedia, Allotropes of phosphorus): -540.0 kJ per 3 mol iodine (-180 kJ per mol I2), phosphorous acid as the crystal and iodine as the solid; with liquid phosphorous acid (fusion 12.8 kJ/mol, chemicals 1.5.2) -514.4 kJ; the heats of solution of iodine and of phosphorous acid in methanol are unknown and not counted (D-005, L-6))
    Rate law
    basis: volume; driving: concentration; form: power_law; k: {"A":"4.1801e6","Ea":60000}; orders: {"I2":1,"P":0.6667}; temperature range: 298.15 – 348.15 (assumed: ASSUMED effective rate (D-005): no open kinetics found (2026-11-06); k sized so that the iodine the dosing leaves accumulated reacts to 0.995 conversion in about 0.4 h at R101's 313.15 K (k 4.1e-4 there), a fast reaction once PI3 forms (the patent's 6-8 h of total reflux are taken as returning the iodine its reflux loop holds up, D-003); 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. CN 114195616 B, description and Examples 1-3: methanol, red phosphorus and iodine at reflux, PI3 as the intermediate, the reaction exothermic

    For the reaction · cited by Iodomethane from methanol, red phosphorus and iodine, batch reflux reaction and batch distillation (500 t/a)

  2. HSDB via PubChem CID 6328, Methods of Manufacturing: prepared from methyl alcohol, iodine and red phosphorus

    For the reaction · cited by Iodomethane from methanol, red phosphorus and iodine, batch reflux reaction and batch distillation (500 t/a)

  3. derived from the CRC standard formation enthalpies packaged in chemicals 1.5.2 (6 x -13.6 + 2 x -964.4 - 6 x -239.2 = -575.2 kJ) and red phosphorus at -17.6 kJ/mol (Wikipedia, Allotropes of phosphorus): -540.0 kJ per 3 mol iodine (-180 kJ per mol I2), phosphorous acid as the crystal and iodine as the solid; with liquid phosphorous acid (fusion 12.8 kJ/mol, chemicals 1.5.2) -514.4 kJ; the heats of solution of iodine and of phosphorous acid in methanol are unknown and not counted (D-005, L-6)

    For the heat of reaction · cited by Iodomethane from methanol, red phosphorus and iodine, batch reflux reaction and batch distillation (500 t/a)