Irreversible reaction

C4H10O2C4H8O+H2O

Direction
Irreversible
Processes
1
Stated as
Stoichiometry only
Heat of reaction
ΔH = 3,270 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
C4H10O2Butane-1,4-diol110-63-4reactant-1
C4H8OTetrahydrofuran109-99-9product1
H2OWater7732-18-5product1

In the processes

  • Tetrahydrofuran from 1,4-butanediol (50 kt/a, cyclodehydration and pressure-swing distillation)Concept · not reviewed

    CYCLOC4H10O2 → C4H8O + H2O

    Element balance
    Balances in every element
    Heat of reaction
    ΔH = 3,270 kJ/kmol at 298.15 K, as written (calculated: liquid formation enthalpies of the chemicals package at 298.15 K: THF -216.2, water -285.825, BDO -505.3 kJ/mol (scripts/thf_balance.py); slightly endothermic. Reversible in high-temperature water (Hunter et al. 2006, doi:10.1021/jo061017o: equilibrium yields 84-94 % at 200-350 C); under reactive distillation the products leave as vapour, so the reaction is taken as irreversible (D-005))
    Catalyst
    p-toluenesulfonic acid, homogeneous, in the liquid phase (US 9284289 B2)

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. US 9284289 B2 (Mitsubishi Chemical), Method for producing tetrahydrofuran: homogeneous sulfonic acid catalysed cyclodehydration of 1,4-butanediol by reactive distillation

    For the reaction · cited by Tetrahydrofuran from 1,4-butanediol (50 kt/a, cyclodehydration and pressure-swing distillation)

  2. Li, K.-T.; Chen, K.-W. (2019) Materials 12, 2092, doi:10.3390/ma12132092 (Introduction, Eq. 1: THF is typically produced by BDO cyclodehydration)

    For the reaction · cited by Tetrahydrofuran from 1,4-butanediol (50 kt/a, cyclodehydration and pressure-swing distillation)

  3. liquid formation enthalpies of the chemicals package at 298.15 K: THF -216.2, water -285.825, BDO -505.3 kJ/mol (scripts/thf_balance.py); slightly endothermic. Reversible in high-temperature water (Hunter et al. 2006, doi:10.1021/jo061017o: equilibrium yields 84-94 % at 200-350 C); under reactive distillation the products leave as vapour, so the reaction is taken as irreversible (D-005)

    For the heat of reaction · cited by Tetrahydrofuran from 1,4-butanediol (50 kt/a, cyclodehydration and pressure-swing distillation)