H + C3H7 (+M) -> C3H8 (+M)

ko = 4.420E+61 T^(-13.54) exp(-11357 cal/mol /RT) cm6/mol^2/s

kinf = 3.613E+13 cm3/mol/s

Fcent = (1- 0.3150) exp(- T / 369) + 0.3150 exp(- T / 3285) + exp(- 6667 / T)

Third-body collisional efficiencies:

N2H2H2OCH4COCO2C2H6AR
1.0 2.0 6.0 2.0 1.5 2.0 3.0 0.7

SOURCE:
Taken to be the same as the rate coefficient at 298 K for H + C2H5 --> C2H6 from A. Sillesen, E. Ratajczak and P. Pagsberg, Chem. Phys. Lett. 201, 171-177 (1993).
k_inf from Tsang (1988), for the n-propyl isomer. k_o and F_c are calculated from a 2-channel RRKM model. Related reactions are
  • 312. CH3 + C2H5 (+M) = C3H8 (+M) and
  • 321. H + C3H7 = CH3 + C2H5.
COMMENTS:
REFERENCES:
Dean, A.M. (1985) J. Phys. Chem. 89, 4600.
Munk, J.; Pagsberg, P.; Ratajczak, E.; Sillesen, A. (1986) Chem. Phys. Lett. 132, 417.
Warnatz, J. (1984) In "Combustion Chemistry" ed. W.C. Gardiner,Jr., Springer-Verlag, NY. 

             LOW PRESSURE RATE CONSTANTS   
_____________________________________________________________

  Temp       DS         DH         kf       kr        Keq
   (K)  (cal/mol K) (kcal/mol)     --- (mol,cm3,s) ---
_____________________________________________________________
   298     -32.0      -100.9    6.37E+19  2.65E-52  2.41E+71
   300     -32.1      -101.0    6.60E+19  7.78E-52  8.48E+70
   400     -33.3      -101.4    1.57E+20  3.66E-33  4.29E+52
   500     -34.1      -101.7    1.33E+20  3.10E-22  4.29E+41
  1000     -35.8      -102.9    3.38E+18  8.87E-02  3.81E+19
  1500     -36.1      -103.3    9.34E+16  5.33E+04  1.75E+12
  2000     -36.2      -103.3    4.92E+15  1.22E+07  4.02E+08
  2500     -36.1      -103.1    4.24E+14  1.53E+08  2.78E+06
  3000     -36.0      -102.8    5.25E+13  4.99E+08  1.05E+05
_____________________________________________________________



        INFINITE PRESSURE RATE CONSTANTS   
_____________________________________________________________

  Temp       DS         DH         kf       kr        Keq
   (K)  (cal/mol K) (kcal/mol)     --- (mol,cm3,s) ---
_____________________________________________________________
   298     -32.0      -100.9    3.61E+13  1.50E-58  2.41E+71
   300     -32.1      -101.0    3.61E+13  4.26E-58  8.48E+70
   400     -33.3      -101.4    3.61E+13  8.42E-40  4.29E+52
   500     -34.1      -101.7    3.61E+13  8.41E-29  4.29E+41
  1000     -35.8      -102.9    3.61E+13  9.49E-07  3.81E+19
  1500     -36.1      -103.3    3.61E+13  2.06E+01  1.75E+12
  2000     -36.2      -103.3    3.61E+13  8.99E+04  4.02E+08
  2500     -36.1      -103.1    3.61E+13  1.30E+07  2.78E+06
  3000     -36.0      -102.8    3.61E+13  3.43E+08  1.05E+05
_____________________________________________________________



        RATE CONSTANTS FOR 0.1 ATM NITROGEN BATH GAS   
_____________________________________________________________

  Temp       DS         DH         kf       kr        Keq
   (K)  (cal/mol K) (kcal/mol)     --- (mol,cm3,s) ---
_____________________________________________________________
   298     -32.0      -100.9    2.19E+13  9.09E-59  2.41E+71
   300     -32.1      -101.0    2.20E+13  2.60E-58  8.48E+70
   400     -33.3      -101.4    2.34E+13  5.45E-40  4.29E+52
   500     -34.1      -101.7    1.92E+13  4.47E-29  4.29E+41
  1000     -35.8      -102.9    1.46E+12  3.83E-08  3.81E+19
  1500     -36.1      -103.3    4.47E+10  2.55E-02  1.75E+12
  2000     -36.2      -103.3    2.11E+09  5.25E+00  4.02E+08
  2500     -36.1      -103.1    1.60E+08  5.77E+01  2.78E+06
  3000     -36.0      -102.8    1.76E+07  1.67E+02  1.05E+05
_____________________________________________________________



        RATE CONSTANTS FOR 1 ATM NITROGEN BATH GAS   
_____________________________________________________________

  Temp       DS         DH         kf       kr        Keq
   (K)  (cal/mol K) (kcal/mol)     --- (mol,cm3,s) ---
_____________________________________________________________
   298     -32.0      -100.9    3.20E+13  1.33E-58  2.41E+71
   300     -32.1      -101.0    3.21E+13  3.78E-58  8.48E+70
   400     -33.3      -101.4    3.21E+13  7.48E-40  4.29E+52
   500     -34.1      -101.7    3.00E+13  6.98E-29  4.29E+41
  1000     -35.8      -102.9    5.37E+12  1.41E-07  3.81E+19
  1500     -36.1      -103.3    3.27E+11  1.86E-01  1.75E+12
  2000     -36.2      -103.3    1.84E+10  4.59E+01  4.02E+08
  2500     -36.1      -103.1    1.50E+09  5.38E+02  2.78E+06
  3000     -36.0      -102.8    1.69E+08  1.61E+03  1.05E+05
_____________________________________________________________



        RATE CONSTANTS FOR 10 ATM NITROGEN BATH GAS   
_____________________________________________________________

  Temp       DS         DH         kf       kr        Keq
   (K)  (cal/mol K) (kcal/mol)     --- (mol,cm3,s) ---
_____________________________________________________________
   298     -32.0      -100.9    3.49E+13  1.45E-58  2.41E+71
   300     -32.1      -101.0    3.49E+13  4.12E-58  8.48E+70
   400     -33.3      -101.4    3.48E+13  8.10E-40  4.29E+52
   500     -34.1      -101.7    3.39E+13  7.90E-29  4.29E+41
  1000     -35.8      -102.9    1.51E+13  3.96E-07  3.81E+19
  1500     -36.1      -103.3    1.70E+12  9.69E-01  1.75E+12
  2000     -36.2      -103.3    1.44E+11  3.58E+02  4.02E+08
  2500     -36.1      -103.1    1.33E+10  4.78E+03  2.78E+06
  3000     -36.0      -102.8    1.59E+09  1.51E+04  1.05E+05
_____________________________________________________________
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