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. 2024 Jun 10;128(24):4838–4849. doi: 10.1021/acs.jpca.4c02287

Table 1. Gas-Phase Rate Coefficient Values of OH-Radical Reactions with All Investigated Methyl-Butenols in the Present Study.

methyl-butenol OHsource reference compounds k/kref k × 1011 (cm3 molecule–1 s–1) k(average) × 1011 (cm3 molecule–1 s–1) k(total) × 1011 (cm3 molecule–1 s–1)
2-methyl-3-buten-2-ol (MBO232) CH3ONO trans-2-butene 1.02 ± 0.02 6.44 ± 0.98 6.48 ± 0.70 6.32 ± 0.49
1,3,5-trimethylbenzene 1.11 ± 0.04 6.52 ± 1.01
H2O2 trans-2-butene 0.99 ± 0.04 6.31 ± 0.99 6.18 ± 0.68
1,3,5-trimethylbenzene 1.04 ± 0.03 6.07 ± 0.68
3-methyl-2-buten-1-ol (MBO321) CH3ONO propene 5.76 ± 0.22 15.14 ± 2.32 14.86 ± 1.17 14.55 ± 0.93
1,2-dihydroxybenzene 1.72 ± 0.05 17.84 ± 2.93
1,3,5-trimethylbenzene 2.18 ± 0.09 12.76 ± 1.98
trans-2-butene 2.48 ± 0.09 15.65 ± 2.43
H2O2 trans-2-butene 2.15 ± 0.04 13.54 ± 2.05 14.04 ± 1.51
1,3,5-trimethylbenzene 2.50 ± 0.08 14.64 ± 2.24
3-methyl-3-buten-1-ol (MBO331) CH3ONO trans-2-butene 1.58 ± 0.04 9.99 ± 1.52 10.05 ± 1.10 10.04 ± 0.78
1,2-dihydroxybenzene 0.97 ± 0.03 10.11 ± 1.58
H2O2 trans-2-butene 1.56 ± 0.07 9.85 ± 1.55 10.04 ± 1.10
1,3,5-trimethylbenzene 1.75 ± 0.04 10.23 ± 1.55
2-methyl-3-buten-1-ol (MBO231) CH3ONO trans-2-butene 0.86 ± 0.02 5.40 ± 0.83 5.46 ± 0.48 5.31 ± 0.37
1,2-dihydroxybenzene 0.52 ± 0.02 5.37 ± 0.84
propene 2.13 ± 0.07 5.61 ± 0.85
H2O2 trans-2-butene 0.83 ± 0.03 5.25 ± 0.81 5.13 ± 0.56
1,3,5-trimethylbenzene 0.86 ± 0.02 5.02 ± 0.76
3-methyl-3-buten-2-ol (MBO332) CH3ONO trans-2-butene 1.75 ± 0.06 11.07 ± 1.71 11.71 ± 1.29 11.71 ± 1.29
1,2-dihydroxybenzene 1.21 ± 0.03 12.55 ± 1.96