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. 2020 Jun 25;5(26):15843–15849. doi: 10.1021/acsomega.0c00790

Table 2. Selection of Compounds Related by (De)hydrationa.

favored compound (with ΔGfm in kJ mol–1) higher Gibbs energy combinations (with ΔGfm in kJ mol–1)
C (s), graphite (0) CH2O (formaldehyde) – H2O (98)
CH2O2, formate (−325) CO + H2O (−295)
C2H6O, ethanol (47) C2H4 (ethene) + H2O (69)
C2H4O, ethanal (5) C2H6O2 (ethylene glycol) – H2O (47)
C2H4O3, hydroxyacetate (−429) C2H2O2 (glyoxal) + H2O (−351)
C3H8O, 2-propanol (123) C3H6 (propene) + H2O (134)
C3H6O, acetone (66) C3H8O2 (propylene glycol) – H2O (133)
C3H6O2, propanoate (−178) C3H4O (acrolein) + H2O (−64); C3H8O3 (glycerol) – H2O (129)
C3H6O3, 3-hydroxypropanoate (−333) C3H4O2 (acrylate) + H2O (−323)
C3H4O3, malonate semialdehyde (−374) C3H6O4 (glycerate) – H2O (−325)
a

Some other possible (de)hydration reactions where eQuilibrator does not offer values of ΔGfm are discussed in the Methods.