Chemical Kinetics Database ERADB

Formula : CH3C(O)OONO2
Name : Peroxyacetyl Nitrate
CAS : 2278-22-0
Smiles : CC(O)O[N+](=O)[O-]
InChI=1S/C2H5NO4/c1-2(4)7-3(5)6/h2,4H,1H3
Family(ies) : Nitrogen Containing Oxygenates
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Constant 1 :
kOH: < 3 × 10^-14 cm³ molecule^-1 s^-1
T = 298 ± 1 K
Temperature Range: 253-298 K
Pressure : 25-100 Torr
Technique(s) : pulsed laser photolysis - laser induced fluorescence
Source : Photolysis of H2O - Photolysis of HONO - O(1D) + H2O
Comment : See the original paper for further important comments
R e f e r e n c e :
Talukdar R. K. , Burkholder J. B. , Schmoltner A. M., Roberts J. M., Wilson R.R., Ravishankara A. R.
Investigation of the loss process for peroxyacetyl nitrate in the atmosphere: UV photolysis and reaction with OH
Journal of Geophysical Research
1995, Vol. 100, pp 14163-14173
DOI : 10.1029/95JD00545

Constant 2 :
kOH: 7.5 ± 1.4 × 10^-14 cm³ molecule^-1 s^-1
T = 298 ± 2 K
Pressure : 0.6-1.9 Torr
Bath Gas : Helium
Technique(s) : discharge flow - electron paramagnetic resonance
Source : H + NO2
R e f e r e n c e :
Tsalkani N., Mellouki A. , Poulet G., Toupance G., Le Bras G.
Rate constant measurements for the reactions of OH and Cl with peroxyacetyl nitrate at 298 K
Journal of Atmospheric Chemistry
1988, Vol. 7, pp 409-419
DOI : 10.1007/BF00058713

Constant 3 :
kOH: 1.37 ± 0.05 × 10^-13 cm³ molecule^-1 s^-1
T = 297 ± 2 K
Temperature Range: 273-297 K
Pressure : 25-100 Torr
Bath Gas : Argon
A = 1.23 × 10^-12 cm³ molecule^-1 s^-1
E/R = 651 ± 229 K
Technique(s) : flash photolysis - resonance fluorescence
Source : Photolysis of H2O
Comment : at T = 273 K, k = (1.13+/-0.06) × 10^-13
R e f e r e n c e :
Wallington T. J. , Atkinson R. , Winer A. M.
Rate constant for the gas phase reaction of OH radicals with peroxyacetyl nitrate (PAN) at 273 and 297 K
Geophysical Research Letters
1984, Vol. 11, pp 861-864
http://www.agu.org/pubs/crossref/1984/0GPRLA000011000009000861000001.shtml

Constant 4 :
kOH: < 1.7 × 10^-13 cm³ molecule^-1 s^-1
T = 299 ± 1 K
Pressure : 50 Torr
Technique(s) : flash photolysis - resonance fluorescence
Source : Photolysis of H2O
R e f e r e n c e :
Winer A. M. , Lloyd A. C. , Darnall K. R., Atkinson R. , Pitts J. N., Jr.
Rate constants for the reactions of OH radicals with n-propyl acetate, sec-butyl acetate, tetrahydrofuran and peroxyacetyl nitrate
Chemical Physics Letters
1977, Vol. 51, pp 221-226
DOI : 10.1016/0009-2614(77)80388-6

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