Reactions

Bond Dissociation Energya (Kcal∙mol−1)

Error Kcal∙mol−1

BDE (this study)

H-CHFCH2OH

H-CHFCH2OH = H• + •CHFCH2OH −101.7 ± 0.1 52.1 −50.7 ± 0.09

103.1 ± 0.1

±0.2

CH2FC-HHOH

CH2FC-HHOH = H• + CH2FC•HOH −101.7 ±0.1 52.1 −56.1 ± 0.1

97.7 ± 0.1

±0.2

CH2FCH2O-H

CH2FCH2O-H = H• + CH2FCH2O• −101.7 ± 0.1 52.1 −45.0 ± 0.1

108.8 ± 0.1

±0.2

H-CH2CHFOH

H-CH2CHFOH = H• + •CH2CHFOH −113.5 ± 0.2 52.1 −59.6 ± 0.1

106.0 ± 0.15

±0.3

CH3C-HFOH

H-CH2CHFOH = H• + CH3C•FOH -113.5 ±0.2 52.1 -68. ±0.2

97.6 ± 0.2

±0.4

CH3CHFO-H

CH3CHFO-H = H• + CH3CHFO• −113.5 ± 0.2 52.1 −58.8 ± 0.2

106.8 ± 0.2

±0.4

H-CHFCHFOH

H-CHFCHFOH = H• + •CHFCHFOH −154.6 ± 0.6 52.1 −105.6 ± 0.2

101.1 ± 0.4

±0.8

CH2FC-HFOH

CH2FC-HFOH = H• + CH2FC• FOH −154.6 ± 0.6 52.1 −104.1 ± 0.1

102.6 ± 0.35

±0.7

CH2FCHFO-H

CH2FCHFO-H = H• + CH2FCHFO• −154.6 ± 0.6 52.1 −99.1 ± 0.1

107.6 ± 0.35

±0.7

CF2-HCH2OH

CF2-HCH2OH = H• + • CF2CH2OH −155.3 ± 0.1 52.1 −102.3 ± 0.2

105.1 ± 0.15

±0.3

CF2HCH-HOH

CF2HCHOH-H = H• + CF2HC•OH −155.3 ± 0.1 52.1 −102.4 ± 0.2

105.0 ± 0.15

±0.3

CF2HCH2O-H

CF2HCH2O-H = H• + CF2HCH2O• −155.3 ± 0.1 52.1 −98.9 ± 0.2

108.5 ± 0.15

±0.3

H-CH2CF2OH

H-CH2CF2OH = H• + •CH2CF2OH −174.5 ± 0.1 52.1 −119.4 ± 0.2

107.2 ± 0.15

±0.3

CH3CF2O-H

CH3CF2O-H = H• CH3CF2O• −174.5 ± 0.1 52.1 −110.6 ± 0.1

116.0 ± 0.1

±0.2