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HEPTANE (N-HEPTANE)
7.15D-12
OH +
NC7H16
=
HEPTO2
KRO2NO*0.36*0.722
HEPTO2
+ NO =
HEPTO
+ NO2
KRO2NO*0.36*0.278
HEPTO2
+ NO =
HEPTNO3
8.40D+10*
exp
(-2567/TEMP)
HEPTO =
HO3C76O2
KRO2NO*0.36*0.889
HO3C76O2
+ NO =
HO3C76O
+ NO2
KRO2NO*0.36*0.111
HO3C76O2
+ NO =
HO3C76NO3
4.20D+10*
exp
(-1963/TEMP)
HO3C76O =
HO2CO5C7
+ HO2
KRO2NO3
HEPTO2
+ NO3 =
HEPTO
+ NO2
KRO2HO2*0.91
HEPTO2
+ HO2 =
HEPTOOH
2.50D-13*0.6*RO2
HEPTO2
=
HEPTO
2.50D-13*0.2*RO2
HEPTO2
=
HEPT3ONE
2.50D-13*0.2*RO2
HEPTO2
=
HEPTOH
KRO2NO3
HO3C76O2
+ NO3 =
HO3C76O
+ NO2
KRO2HO2*0.91
HO3C76O2
+ HO2 =
HO3C76OOH
2.50D-13*0.6*RO2
HO3C76O2
=
HO3C76O
2.50D-13*0.2*RO2
HO3C76O2
=
HO3CO6C7
2.50D-13*0.2*RO2
HO3C76O2
=
HO25C7
3.69D-12
OH +
HEPTNO3
=
HEPT3ONE
+ NO2
J<54>
HEPTNO3
=
HEPTO
+ NO2
1.38D-11
OH +
HO3C76NO3
=
HO3CO6C7
+ NO2
J<54>
HO3C76NO3
=
HO3C76O
+ NO2
4.85D-11
OH +
HEPTOOH
=
HEPT3ONE
+ OH
J<41>
HEPTOOH
=
HEPTO
+ OH
1.57D-11
OH +
HEPTOH
=
HEPT3ONE
+ HO2
4.89D-11
OH +
HO3C76OOH
=
HO3CO6C7
+ OH
J<41>
HO3C76OOH
=
HO3C76O
+ OH
2.27D-11
OH +
HO25C7
=
HO2CO5C7
+ HO2
J<22>
HEPT3ONE
=
C2H5CO3
+
NC4H9O2
1.04D-11
OH +
HEPT3ONE
=
CO3C75O2
KRO2NO*0.36
CO3C75O2
+ NO =
CO3C75O
+ NO2
8.40D+10*
exp
(-2567/TEMP)
CO3C75O =
C71O2
KRO2NO*0.36
C71O2
+ NO =
C71O
+ NO2
KDEC
C71O
=
CH3CHO
+
HO3C4CO3
J<22>
HO3CO6C7
=
HO3C5O2
+
CH3CO3
1.73D-11
OH +
HO3CO6C7
=
CO25C7
+ HO2
KRO2NO3
CO3C75O2
+ NO3 =
CO3C75O
+ NO2
KRO2HO2*0.91
CO3C75O2
+ HO2 =
CO3C75OOH
2.50D-13*RO2
CO3C75O2
=
CO3C75O
1.42D-10
OH +
CO3C75OOH
=
CO3C75O2
J<41>
CO3C75OOH
=
CO3C75O
+ OH
J<22>
CO3C75OOH
=
CO3C75O
+ OH
KRO2NO3
C71O2
+ NO3 =
C71O
+ NO2
KRO2HO2*0.91
C71O2
+ HO2 =
C71OOH
8.80D-13*RO2
C71O2
=
C71O
5.97D-11
OH +
C71OOH
=
C71O2
J<41>
C71OOH
=
C71O
+ OH
J<22>
C71OOH
=
HO3C4CO3
+
CH3CHO
+ OH
J<22>
HO2CO5C7
=
C2H5CO3
+
HO2C4O2
1.51D-11*0.628
OH +
HO2CO5C7
=
CO25C7
+ HO2
1.51D-11*0.372
OH +
HO2CO5C7
=
C72O2
KRO2NO*0.36*0.861
C72O2
+ NO =
C72O
+ NO2
KRO2NO*0.36*0.139
C72O2
+ NO =
C72NO3
KDEC
C72O
=
CO3C4CHO
+
CH3CHO
+ HO2
KRO2NO3
C72O2
+ NO3 =
C72O
+ NO2
KRO2HO2*0.91
C72O2
+ HO2 =
C72OOH
8.80D-13*0.6*RO2
C72O2
=
C72O
8.80D-13*0.2*RO2
C72O2
=
C72OH
8.80D-13*0.2*RO2
C72O2
=
HO2CO35C7
5.42D-12
OH +
C72NO3
=
HO2CO35C7
+ NO2
J<54>
C72NO3
=
C72O
+ NO2
J<22>
C72NO3
=
C72O
+ NO2
1.45D-10
OH +
C72OOH
=
HO2CO35C7
+ OH
J<41>
C72OOH
=
C72O
+ OH
J<22>
C72OOH
=
C72O
+ OH
4.54D-11
OH +
C72OH
=
HO2CO35C7
+ HO2
J<22>
C72OH
=
C72O
+ HO2
J<22>*2
HO2CO35C7
=
CO3C4CO3
+
CH3CHO
+ HO2
6.77D-12
OH +
HO2CO35C7
=
CO235C7
+ HO2
J<35>
CO235C7
=
CH3CO3
+
CO3C4CO3
1.86D-12
OH +
CO235C7
=
C73O2
KRO2NO*0.36
C73O2
+ NO =
C73O
+ NO2
KDEC
C73O
=
CO23C4CO3
+
CH3CHO
KRO2NO3
C73O2
+ NO3 =
C73O
+ NO2
KRO2HO2*0.91
C73O2
+ HO2 =
C73OOH
8.80D-13*RO2
C73O2
=
C73O
2.29D-11
OH +
C73OOH
=
C73O2
J<41>
C73OOH
=
C73O
+ OH
J<22>
C73OOH
=
CO23C4CO3
+
CH3CHO
+ OH
J<35>
C73OOH
=
C73O
+ OH
J<22>
CO25C7
=
CH3CO3
+
DIEKBO2
J<22>
CO25C7
=
C2H5CO3
+
MEKAO2
6.98D-12*0.5
OH +
CO25C7
=
CO25C73O2
6.98D-12*0.5
OH +
CO25C7
=
CO25C74O2
KRO2NO*0.36
CO25C73O2
+ NO =
CO25C73O
+ NO2
KDEC
CO25C73O
=
CO3C4CHO
+
CH3CO3
KRO2NO*0.36
CO25C74O2
+ NO =
CO25C74O
+ NO2
KDEC
CO25C74O
=
CO2C3CHO
+
C2H5CO3
KRO2NO3
CO25C73O2
+ NO3 =
CO25C73O
+ NO2
KRO2HO2*0.91
CO25C73O2
+ HO2 =
CO25C73OOH
8.80D-13*0.6*RO2
CO25C73O2
=
CO25C73O
8.80D-13*0.2*RO2
CO25C73O2
=
CO25C73OH
8.80D-13*0.2*RO2
CO25C73O2
=
CO235C7
KRO2NO3
CO25C74O2
+ NO3 =
CO25C74O
+ NO2
KRO2HO2*0.91
CO25C74O2
+ HO2 =
CO25C74OOH
8.80D-13*0.6*RO2
CO25C74O2
=
CO25C74O
8.80D-13*0.2*RO2
CO25C74O2
=
CO25C74OH
8.80D-13*0.2*RO2
CO25C74O2
=
CO245C7
8.73D-11
OH +
CO25C73OOH
=
CO235C7
+ OH
J<41>
CO25C73OOH
=
CO25C73O
+ OH
J<22>*2
CO25C73OOH
=
CH3CO3
+
CO3C4CHO
+ OH
8.73D-11
OH +
CO25C74OOH
=
CO245C7
+ OH
J<41>
CO25C74OOH
=
CO25C74O
+ OH
J<22>*2
CO25C74OOH
=
C2H5CO3
+
CO2C3CHO
+ OH
2.50D-11
OH +
CO25C73OH
=
CO235C7
+ HO2
J<22>*2
CO25C73OH
=
CH3CO3
+
CO3C4CHO
+ HO2
2.50D-11
OH +
CO25C74OH
=
CO245C7
+ HO2
J<22>*2
CO25C74OH
=
C2H5CO3
+
CO2C3CHO
+ HO2
J<35>
CO245C7
=
C2H5CO3
+
CO2C3CO3
1.86D-12
OH +
CO245C7
=
C74O2
KRO2NO*0.36
C74O2
+ NO =
C74O
+ NO2
KDEC
C74O
=
CO2C3CO3
+
CH3CHO
+ CO
KRO2NO3
C74O2
+ NO3 =
C74O
+ NO2
KRO2HO2*0.91
C74O2
+ HO2 =
C74OOH
8.80D-13*RO2
C74O2
=
C74O
2.29D-11
OH +
C74OOH
=
C74O2
J<41>
C74OOH
=
C74O
+ OH
J<35>
C74OOH
=
CH3CHO
+ OH +
CO2C3CO3
+ CO
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