Chemical Kinetics Database ERADB

Formula : C3H6O3
Name : 1,3,5-Trioxane
CAS : 110-88-3
Smiles : C1OCOCO1
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
Function(s) : Polyethers
Family(ies) : Saturated Oxygenates
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Constant 1 :
kOH: 5.7 ± 0.7 × 10^-12 cm³ molecule^-1 s^-1
T = 298 ± 2 K
Pressure : 760 Torr
Bath Gas : Air
Technique(s) : relative rate - gas chromatography
Source : Photolysis of O3 (in presence of H2O)
Comment : Placed on an absolute basis using k(CH3(CH2)3OH)= 8.6 × 10^-12
k/kref=(0.66±0.06)
R e f e r e n c e :
Moriarty R. L., Sidebottom H. W., Wenger J. C., Mellouki A. , Le Bras G.
Kinetic studies on the reactions of hydroxyl radicals with cyclic ethers and aliphatic diethers
The Journal of Physical Chemistry A
2003, Vol. 107, pp 1499-1505
DOI : 10.1021/jp021267i

Constant 2 :
kOH: 5.3 ± 0.2 × 10^-12 cm³ molecule^-1 s^-1
T = 298 ± 2 K
Temperature Range: 263-372 K
Pressure : 100 Torr
Bath Gas : Helium
A = 9.6 ± 1.5 × 10^-12 cm³ molecule^-1 s^-1
E/R = 184 ± 75 K
Technique(s) : pulsed laser photolysis - laser induced fluorescence
Source : Photolysis of H2O2
R e f e r e n c e :
Moriarty R. L., Sidebottom H. W., Wenger J. C., Mellouki A. , Le Bras G.
Kinetic studies on the reactions of hydroxyl radicals with cyclic ethers and aliphatic diethers
The Journal of Physical Chemistry A
2003, Vol. 107, pp 1499-1505
DOI : 10.1021/jp021267i

Constant 3 :
kOH: 5.7 ± 0.7 × 10^-12 cm³ molecule^-1 s^-1
T = 296 ± 3 K
Pressure : 700-750 Torr
Technique(s) : relative rate - Fourier transform infrared
Source : Photolysis of H2O2
Comment : Placed on an absolute basis using k(C2H4)= 8.5 × 10^-12
R e f e r e n c e :
Platz K. , Christensen L. K. , Sehested J. , Nielsen O. J. , Wallington T. J. , Sauer C. G. , Barnes I. , Becker K.H., Vogt R.
Atmospheric chemistry of 1,3,5-Trioxane : UV spectra of c-C3H5O3(.) and (c-C3H5O3)O2(.) radicals, kientics of the reactions of (c-C3H5O3)O2(.) radicals with NO and NO2 and atmospheric fate of the alkoxy radical (c-C3H5O3)O(.)
The Journal of Physical Chemistry A
1998, Vol. 102, pp 4829-4838
DOI : 10.1021/jp9809540

Constant 4 :
kOH: 62 ± 7 × 10^-13 cm³ molecule^-1 s^-1
T = 296 ± 3 K
Pressure : 700-750 Torr
Technique(s) : relative rate - Fourier transform infrared
Source : Photolysis of H2O2
Comment : Placed on an absolute basis using k(c-C6H12)= 7.5 × 10^-12
R e f e r e n c e :
Platz K. , Christensen L. K. , Sehested J. , Nielsen O. J. , Wallington T. J. , Sauer C. G. , Barnes I. , Becker K.H., Vogt R.
Atmospheric chemistry of 1,3,5-Trioxane : UV spectra of c-C3H5O3(.) and (c-C3H5O3)O2(.) radicals, kientics of the reactions of (c-C3H5O3)O2(.) radicals with NO and NO2 and atmospheric fate of the alkoxy radical (c-C3H5O3)O(.)
The Journal of Physical Chemistry A
1998, Vol. 102, pp 4829-4838
DOI : 10.1021/jp9809540

Constant 5 :
kOH: 6 ± 1 × 10^-12 cm³ molecule^-1 s^-1
T = 296 ± 3 K
Pressure : 700-750 Torr
Technique(s) : relative rate - Fourier transform infrared
Comment : Average Value
R e f e r e n c e :
Platz K. , Christensen L. K. , Sehested J. , Nielsen O. J. , Wallington T. J. , Sauer C. G. , Barnes I. , Becker K.H., Vogt R.
Atmospheric chemistry of 1,3,5-Trioxane : UV spectra of c-C3H5O3(.) and (c-C3H5O3)O2(.) radicals, kientics of the reactions of (c-C3H5O3)O2(.) radicals with NO and NO2 and atmospheric fate of the alkoxy radical (c-C3H5O3)O(.)
The Journal of Physical Chemistry A
1998, Vol. 102, pp 4829-4838
DOI : 10.1021/jp9809540

Constant 6 :
kOH: 5.9 ± 0.2 × 10^-12 cm³ molecule^-1 s^-1
T = 298 ± 1 K
Temperature Range: 292-597 K
Pressure : 100 Torr
A = 1.36 ± 0.20 × 10^-11 cm³ molecule^-1 s^-1
E/R = 231 ± 51 K
Technique(s) : pulsed laser photolysis
Source : Photolysis of H2O2
R e f e r e n c e :
Zabarnick S. , Fleming J. W. , Lin M. C.
Kinetics of hydroxyl radical reactions with formaldehyde and 1,3,5-trioxane between 290 and 600 K
International Journal of Chemical Kinetics
1988, Vol. 20, pp 117-129
DOI : 10.1002/kin.550200205

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