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- W2168625013 abstract "Abstract Experimentally measured 298 K enthalpies of formation are not well established for monofluoroalkanes. To supplement available experimental data, the multi‐coefficient G3 (MCG3) quantum mechanical model has been applied to estimate this thermochemical quantity for methyl fluoride, ethyl fluoride, 2‐fluoropropane (isopropyl fluoride) and 2‐fluoro‐2‐methylpropane ( tert ‐butyl fluoride). The following 298 K standard enthalpies of formation are suggested for these monofluoroalkanes: Δ H (MeF) = −57.1 ± 0.2 kcal mol −1 , Δ H (EtF) = −66.5 ± 0.4 kcal mol −1 , Δ H ( i ‐PrF) = −75.4± 0.5 kcal mol −1 , and Δ H ( t ‐BuF) = −86.0 ± 2.0 kcal mol −1 (1 kcal = 4.184 kJ). Copyright © 2004 John Wiley & Sons, Ltd." @default.
- W2168625013 created "2016-06-24" @default.
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- W2168625013 date "2004-06-24" @default.
- W2168625013 modified "2023-10-13" @default.
- W2168625013 title "298 K enthalpies of formation of monofluorinated alkanes: theoretical predictions for methyl, ethyl, isopropyl and<i>tert</i>-butyl fluoride" @default.
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- W2168625013 doi "https://doi.org/10.1002/poc.801" @default.
- W2168625013 hasPublicationYear "2004" @default.
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