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Table 1
Activation energies EA and reaction energies Er of hydrogen addition and abstraction reactions for the investigated molecules in kJ mol−1 relative to the PRC.
| Reaction | EA |  |
Er |  |
Tc |
|---|---|---|---|---|---|
| Propynal | |||||
| add C1 | 21.9 | 24.2 | −111.5 | −88.0 | 219 |
| add C2 | 18.5 | 18.9 | −183.6 | −159.5 | 175 |
| add C3 | 11.2 | 12.6 | −222.4 | −197.9 | 160 |
| add O | 29.6 | 31.0 | −202.8 | −177.5 | 297 |
| abs C1 | 27.3 | 20.0 | −60.2 | −69.3 | 353 |
| abs C3a | – | – | 139.7 | 134.2 | – |
| Propargyl alcohol | |||||
| add C2 | 16.9 | 17.8 | −179.0 | −154.1 | 169 |
| add C3 | 14.3 | 15.0 | −190.4 | −165.9 | 177 |
| abs C1 | 25.3 | 17.7 | −80.6 | −92.1 | 326 |
| abs C3a | – | – | 141.7 | 131.6 | – |
| abs O | 59.5 | 50.9 | 2.0 | −10.1 | 376 |
| Propenal | |||||
| add C1 | 25.7 | 26.9 | −90.5 | −67.6 | 228 |
| add C2 | 16.5 | 18.0 | −152.6 | −132.2 | 181 |
| add C3 | 7.0 | 8.2 | −212.3 | −188.6 | 127 |
| add O | 32.3 | 33.0 | −186.7 | −162.9 | 317 |
| abs C1 | 24.9 | 17.3 | −47.6 | −55.4 | 329 |
| abs C2 | 74.2 | 65.0 | 48.8 | 36.4 | 235 |
| abs C3 | 75.3 | 67.0 | 46.9 | 35.1 | 248 |
| Allyl alcohol | |||||
| add C2 | 14.9 | 16.5 | −169.4 | −148.6 | 171 |
| add C3 | 7.5 | 9.0 | −178.8 | −157.8 | 138 |
| abs C1 | 33.0 | 24.5 | −92.9 | −104.6 | 328 |
| abs C2 | 63.2 | 54.6 | 33.0 | 21.1 | 265 |
| abs C3 | 71.6 | 63.2 | 44.0 | 32.1 | 247 |
| abs O | 56.9 | 46.1 | 5.6 | −7.5 | 400 |
| Propanal | |||||
| add C1 | 21.8 | 23.9 | −104.5 | −82.6 | 206 |
| add O | 39.8 | 41.1 | −136.6 | −110.1 | 335 |
| abs C1 | 21.3 | 13.8 | −55.1 | −63.0 | 309 |
| abs C2 | 33.9 | 25.4 | −54.3 | −64.6 | 350 |
| abs C3 | 53.9 | 44.8 | 6.5 | −8.7 | 316 |
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