Table 2. Bimolecular k1–k7 Rate Constants (in Units of cm3 molecule–1 s–1) of the HNCO + C3H3 Reactions Calculated at T = 300–2000 K and P = 760 Torr (Ar), where k1–k4 Are Values of the HNCO + C3H3 → C4H4NO (IS1–IS4) Channels, while k5/k6 and k7 Are the Numbers of the HNCO + C3H3 → H2CCCH2 + NCO (PR1)/HCCCH3 + NCO (PR2) and HNCO + C3H3 → HCCCH2NH + CO (PR10) Channels.
| T (K) | k1 | k2 | k3 | k4 | k5 | k6 | k7 |
|---|---|---|---|---|---|---|---|
| 300 | 3.26 × 10–33 | 1.03 × 10–31 | 1.91 × 10–31 | 3.69 × 10–31 | 4.41 × 10–32 | 1.14 × 10–30 | 5.89 × 10–37 |
| 400 | 2.23 × 10–28 | 2.47 × 10–27 | 5.21 × 10–27 | 6.28 × 10–27 | 2.55 × 10–27 | 2.59 × 10–26 | 6.51 × 10–31 |
| 500 | 1.80 × 10–25 | 1.06 × 10–24 | 2.44 × 10–24 | 1.77 × 10–24 | 2.03 × 10–24 | 1.17 × 10–23 | 2.63 × 10–27 |
| 600 | 1.56 × 10–23 | 5.83 × 10–23 | 1.45 × 10–22 | 6.66 × 10–23 | 1.89 × 10–22 | 7.42 × 10–22 | 6.49 × 10–25 |
| 700 | 3.75 × 10–22 | 9.35 × 10–22 | 2.57 × 10–21 | 8.08 × 10–22 | 5.14 × 10–21 | 1.53 × 10–20 | 3.25 × 10–23 |
| 800 | 4.00 × 10–21 | 6.68 × 10–21 | 2.03 × 10–20 | 4.88 × 10–21 | 6.47 × 10–20 | 1.56 × 10–19 | 6.02 × 10–22 |
| 900 | 2.45 × 10–20 | 2.78 × 10–20 | 9.07 × 10–20 | 1.87 × 10–20 | 4.85 × 10–19 | 9.87 × 10–19 | 5.76 × 10–21 |
| 1000 | 9.99 × 10–20 | 8.03 × 10–20 | 2.68 × 10–19 | 5.24 × 10–20 | 2.52 × 10–18 | 4.48 × 10–18 | 3.47 × 10–20 |
| 1100 | 2.96 × 10–19 | 1.82 × 10–19 | 5.93 × 10–19 | 1.17 × 10–19 | 1.03 × 10–17 | 1.59 × 10–17 | 1.50 × 10–19 |
| 1200 | 6.80 × 10–19 | 3.51 × 10–19 | 1.08 × 10–18 | 2.23 × 10–19 | 3.25 × 10–17 | 4.70 × 10–17 | 5.03 × 10–19 |
| 1300 | 1.27 × 10–18 | 5.99 × 10–19 | 1.74 × 10–18 | 3.74 × 10–19 | 9.01 × 10–17 | 1.20 × 10–16 | 1.40 × 10–18 |
| 1400 | 1.99 × 10–18 | 9.33 × 10–19 | 2.54 × 10–18 | 5.70 × 10–19 | 2.20 × 10–16 | 2.73 × 10–16 | 3.33 × 10–18 |
| 1500 | 2.83 × 10–18 | 1.36 × 10–18 | 3.48 × 10–18 | 8.06 × 10–19 | 4.84 × 10–16 | 5.64 × 10–16 | 7.04 × 10–18 |
| 1600 | 3.71 × 10–18 | 1.88 × 10–18 | 4.52 × 10–18 | 1.07 × 10–18 | 9.80 × 10–16 | 1.08 × 10–15 | 1.35 × 10–17 |
| 1700 | 4.62 × 10–18 | 2.49 × 10–18 | 5.65 × 10–18 | 1.36 × 10–18 | 1.85 × 10–15 | 1.95 × 10–15 | 2.39 × 10–17 |
| 1800 | 5.54 × 10–18 | 3.15 × 10–18 | 6.84 × 10–18 | 1.66 × 10–18 | 3.29 × 10–15 | 3.32 × 10–15 | 3.97 × 10–17 |
| 1900 | 6.46 × 10–18 | 3.81 × 10–18 | 8.07 × 10–18 | 1.96 × 10–18 | 5.56 × 10–15 | 5.39 × 10–15 | 6.23 × 10–17 |
| 2000 | 7.38 × 10–18 | 4.52 × 10–18 | 9.33 × 10–18 | 2.25 × 10–18 | 9.00 × 10–15 | 8.43 × 10–15 | 9.31 × 10–17 |