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Table C.2

Selected grain-surface/ice-mantle hydrogen-abstraction and barrier-mediated reactions involved in the formation of vinyl, ethyl, propyl alcohols, as well as updated reactions related to propyl cyanide production. Garrod et al. (2017) provide a more complete list of cyanide-related reactions.

# Reaction Fdir Fcomp EA (K) Ref.
46 H + C3H6 → ĊH2CH2CH3 0.375 0.25 1320 a
47 H + C3H6 → CH3ĊHCH3 0.25 1 619 a
48 H + C3H6 → C3H5 + H2 0.375 0.25 2930 b
49 ȮH + C3H6 → CH3ĊHCH2OH 0.375 – 0 c
50 ȮH + C3H6 → ĊH2CH(OH)CH3 0.25 – 0 d
51 ȮH + C3H6 → C3H5 + H2O 0.375 1 730 e
52 H + C3H8 → ĊH2CH2CH3 + H2 0.75 0.25 4720 f
53 H + C3H8 → CH3ĊHCH3 + H2 0.25 1 4000 f
54 ȮH + C3H8 → ĊH2CH2CH3 + H2O 0.75 0.25 1310 g
55 ȮH + C3H8 → CH3ĊHCH3 + H2O 0.25 1 1120 g
56 H + C2H5OH → ĊH2CH2OH + H2 0.375 0.25 3770 h
57 H + C2H5OH → CH3ĊHOH + H2 0.25 1 2710 i
58 H + C2H5OH → C2H5Ȯ + H2 0.375 0.25 4380 h
59 ȮH + C2H5OH → ĊH2CH2OH + H2O 0.375 0.25 889 E-P
60 ȮH + C2H5OH → CH3ĊHOH + H2O 0.25 1 70 j
61 ȮH + C2H5OH → C2H5Ȯ + H2O 0.375 0.25 1510 E-P
62 H + C2H5CN → ĊH2CH2CN + H2 0.375 0.25 4720 Est.
63 H + C2H5CN → CH3ĊHCN + H2 0.25 1 4000 Est.
64 ȮH + C2H5CN → ĊH2CH2CN + H2O 0.375 0.25 1790 k
65 ȮH + C2H5CN → CH3ĊHCN + H2O 0.25 1 1060 k
66 H + C3H7OH → ĊH2CH2CH2OH + H2 0.3 0.25 3710 E-P
67 H + C3H7OH → CH3ĊHCH2OH + H2 0.2 1 3080 E-P
68 H + C3H7OH → CH3CH2ĊHOH + H2 0.2 1 3080 E-P
69 H + C3H7OH → C3H7Ȯ + H2 0.3 0.25 4780 E-P
70 ȮH + C3H7OH → ĊH2CH2CH2OH + H2O 0.3 0.25 522 E-P
71 ȮH + C3H7OH → CH3ĊHCH2OH + H2O 0.2 1 125 E-P
72 ȮH + C3H7OH → CH3CH2ĊHOH + H2O 0.2 1 125 E-P
73 ȮH + C3H7OH → C3H7Ȯ + H2O 0.3 0.25 1210 E-P
74 H + i-C3H7OH → ĊH2CH(OH)CH3 + H2 0.6 0.25 3710 E-P
75 H + i-C3H7OH → CH3Ċ(OH)CH3 + H2 0.1 1 3080 E-P
76 H + i-C3H7OH → CH3CH(Ȯ)CH3 + H2 0.3 0.25 6080 E-P
77 ȮH + i-C3H7OH → ĊH2CH(OH)CH3 + H2O 0.6 0.25 522 E-P
78 ȮH + i-C3H7OH → CH3Ċ(OH)CH3 + H2O 0.1 1 125 E-P
79 ȮH + i-C3H7OH → CH3CH(Ȯ)CH3 + H2O 0.3 0.25 2040 E-P
80 H + C3H7CN → ĊH2CH2CH2CN + H2 0.3 0.25 3710 E-P
81 H + C3H7CN → CH3ĊHCH2CN + H2 0.2 1 3080 E-P
82 H + C3H7CN → CH3CH2ĊHCN + H2 0.2 1 3080 E-P
83 ȮH + C3H7CN → ĊH2CH2CH2CN + H2O 0.3 0.25 1000 Est.
84 ȮH + C3H7CN → CH3ĊHCH2CN + H2O 0.2 1 800 Est.
85 ȮH + C3H7CN → CH3CH2ĊHCN + H2O 0.2 1 800 Est.
86 H + i-C3H7CN → ĊH2CH(CN)CH3 + H2 0.6 0.25 3710 E-P
87 H + i-C3H7CN → CH3Ċ(CN)CH3 + H2 0.1 1 3080 E-P
88 ȮH + i-C3H7CN → ĊH2CH(CN)CH3 + H2O 0.6 0.25 1000 Est.
89 ȮH + i-C3H7CN → CH3Ċ(CN)CH3 + H2O 0.1 1 800 Est.

Notes. Dots indicate which atom in a molecule hosts the radical site (i.e. an unpaired electron), where appropriate. Literature references refer to EA values; Fdir and Fcomp values are our own estimates. “E-P” indicates an activation energy calculated using the Evans-Polanyi relation; see Garrod (2013). “Est.” indicates a barrier estimate by the authors based on other reactions in the list. (a)Curran (2006); (b)Tsang (1992); (c)Atkinson et al. (1997); (d)Thomsen & Jorgensen (2009); (e)Tsang (1991); (f)Baldwin & Walker (1979); (g)Hu et al. (1997); (h)Sivaramakrishnan et al. (2010); (i)Olm et al. (2016);(j) Atkinson et al. (2001); (k)based on fitting to data from Sun et al. (2008).

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