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• W3006404660 abstract "Standard enthalpies of formation (ΔfH°298), standard entropies (S°(T)), and heat capacities (Cp(T)) are calculated for dimethyl and ethyl methyl fluorinated ethers, both the parent and related radical species. The parent and radical species are utilized to determine carbon–hydrogen, carbon–fluorine, carbon–carbon, and carbon–oxygen bond dissociation energies (C–H, C–F, C–C, and C–O BDEs). The ΔfH°298 and BDEs are calculated using a variety of error-canceling isogyric and/or isodesmic reactions at the MN15/cc-pVTZ, CBS-QB3, and CBS-APNO levels of theory. ΔfH°298 calculations from the MN15 functional for these ether species are shown to have consistency with the CBS-QB3 and CBS-APNO composite methods with our recommended ideal gas phase ΔfH°298 values from the average of these two composite methods. C–F BDE values are shown to range overall between 111 and 128 kcal mol–1, the C–H BDEs are in the 93–106 kcal mol–1 range, the C–O BDEs are in the 83–107 kcal mol–1 range, and the C–C BDEs are in the 88–101 kcal..." @default.
• W3006404660 created "2020-02-24" @default.
• W3006404660 creator A5026866914 @default.
• W3006404660 creator A5030186105 @default.
• W3006404660 creator A5035994374 @default.
• W3006404660 creator A5075047822 @default.
• W3006404660 date "2020-02-14" @default.
• W3006404660 modified "2023-09-23" @default.
• W3006404660 title "Thermochemistry of Fluorinated Dimethyl and Ethyl Methyl Ethers and Corresponding Radical Species" @default.
• W3006404660 cites W1964790699 @default.
• W3006404660 cites W1964959557 @default.
• W3006404660 cites W1969327884 @default.
• W3006404660 cites W1972314740 @default.
• W3006404660 cites W1973024989 @default.
• W3006404660 cites W1974239545 @default.
• W3006404660 cites W1974322289 @default.
• W3006404660 cites W1976211441 @default.
• W3006404660 cites W1976765852 @default.
• W3006404660 cites W1978347469 @default.
• W3006404660 cites W1981574232 @default.
• W3006404660 cites W1983695966 @default.
• W3006404660 cites W1985868172 @default.
• W3006404660 cites W1992832634 @default.
• W3006404660 cites W1993077801 @default.
• W3006404660 cites W1993582784 @default.
• W3006404660 cites W1994372519 @default.
• W3006404660 cites W1994805160 @default.
• W3006404660 cites W1997550592 @default.
• W3006404660 cites W1997903375 @default.
• W3006404660 cites W1998379890 @default.
• W3006404660 cites W1998725642 @default.
• W3006404660 cites W2002806071 @default.
• W3006404660 cites W2004024071 @default.
• W3006404660 cites W2005632860 @default.
• W3006404660 cites W2006801794 @default.
• W3006404660 cites W2010933693 @default.
• W3006404660 cites W2018669593 @default.
• W3006404660 cites W2022166113 @default.
• W3006404660 cites W2023997730 @default.
• W3006404660 cites W2024999454 @default.
• W3006404660 cites W2027174154 @default.
• W3006404660 cites W2038577875 @default.
• W3006404660 cites W2039966920 @default.
• W3006404660 cites W2042951861 @default.
• W3006404660 cites W2043054450 @default.
• W3006404660 cites W2043254339 @default.
• W3006404660 cites W2043541345 @default.
• W3006404660 cites W2043919851 @default.
• W3006404660 cites W2052904335 @default.
• W3006404660 cites W2054972953 @default.
• W3006404660 cites W2056474098 @default.
• W3006404660 cites W2057327625 @default.
• W3006404660 cites W2060176506 @default.
• W3006404660 cites W2067809794 @default.
• W3006404660 cites W2069006374 @default.
• W3006404660 cites W2076979564 @default.
• W3006404660 cites W2077381077 @default.
• W3006404660 cites W2078717775 @default.
• W3006404660 cites W2081336990 @default.
• W3006404660 cites W2086063159 @default.
• W3006404660 cites W2086505034 @default.
• W3006404660 cites W2089999713 @default.
• W3006404660 cites W2092716435 @default.
• W3006404660 cites W2105722596 @default.
• W3006404660 cites W2115937179 @default.
• W3006404660 cites W2124148930 @default.
• W3006404660 cites W2132973398 @default.
• W3006404660 cites W2136839140 @default.
• W3006404660 cites W2139311391 @default.
• W3006404660 cites W2142292115 @default.
• W3006404660 cites W2165581917 @default.
• W3006404660 cites W2168625013 @default.
• W3006404660 cites W21953475 @default.
• W3006404660 cites W2266227654 @default.
• W3006404660 cites W2313130213 @default.
• W3006404660 cites W2315824375 @default.
• W3006404660 cites W2319874690 @default.
• W3006404660 cites W2325515730 @default.
• W3006404660 cites W2326592274 @default.
• W3006404660 cites W2329758553 @default.
• W3006404660 cites W2330586915 @default.
• W3006404660 cites W2331977715 @default.
• W3006404660 cites W2333113984 @default.
• W3006404660 cites W2340169757 @default.
• W3006404660 cites W2485865356 @default.
• W3006404660 cites W2488019655 @default.
• W3006404660 cites W2568116222 @default.
• W3006404660 cites W2570313485 @default.
• W3006404660 cites W2741511330 @default.
• W3006404660 cites W2766000638 @default.
• W3006404660 cites W2804107419 @default.
• W3006404660 cites W2902421554 @default.
• W3006404660 cites W2969393560 @default.
• W3006404660 cites W2969834782 @default.
• W3006404660 cites W313317972 @default.
• W3006404660 cites W565854973 @default.
• W3006404660 doi "https://doi.org/10.1021/acs.jced.9b01034" @default.
• W3006404660 hasPublicationYear "2020" @default.
• W3006404660 type Work @default.
• W3006404660 sameAs 3006404660 @default.

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