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Table 3

Ratios of branched-chain molecules with their straight-chain forms, for each model, as well as ratios between larger and smaller homologues.

Molecular ratio Fast Medium Slow Observations



Low EA High EA Low EA High EA Low EA High EA

C3H7CN, i/n 3.0 0.45 0.24 0.17 1.8 1.5 0.40 ± 0.06 a
C4H9CN, i/n 0.84 1.5 0.61 0.60 1.9 2.2
s/n 4.3 4.1 2.4 2.6 1.9 1.7
t/n 0.042 0.027 0.015 0.013 0.10 0.085
(i+s+t)/n 5.4 5.8 3.0 3.1 3.9 4.1
C4H10, i/n 0.13 0.13 0.055 0.054 0.36 0.36
C5H12, i/n 33 31 3.0 2.9 2.0 2.0
neo/n 0.28 0.27 0.11 0.10 0.48 0.48
(neo+i)/n 34 32 3.2 3.0 2.6 2.6
C2H5CN/CH3CN 4.0 2.1 15 12 10 5.5 2.8b
C2H5CN/C2H3CN 9.2 7.5 6.5 6.2 4.7 3.8 15b
n-C3H7CN/C2H5CN 0.024 0.14 0.13 0.17 0.054 0.67 0.029ab
C3H7CN (total)/C2H5CN 0.098 0.21 0.16 0.20 0.15 0.16 0.041ab
n-C4H9CN/n-C3H7CN 0.52 0.11 0.33 0.31 1.1 1.0 <0.59c
C4H9CN (total)/C3H7CN (total) 0.82 0.52 1.1 1.1 1.8 2.1

Reference. Observed ratios obtained by Belloche et al. (2014, 2016) are also shown.

(a)

Belloche et al. (2014);

(b)

Belloche et al. (2016);

(c)

This work.

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