Chlorine dioxide

Phototransformation in air

Administrative data

Endpoint:

phototransformation in air

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

publication

Title:

Chemical kinetics and photochemical data for use in atmospheric studies.

Author:

Sander SP, Friedl RR, Golden DM, Kurylo MJ, Huie RE, Orkin VL, Moortgat GK, Ravishankara AR, Kolb CE, Molina MJ and Finlayson-Pitts BJ

Year:

2003

Bibliographic source:

Evaluation no. 14. NASA Jet Propulsion Laboratory, JPL Publication 02-25. 1st February 2003.

Materials and methods

Principles of method if other than guideline:

No details of the experimental method are provided.

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

Chlorine dioxide

EC Number:

233-162-8

EC Name:

Chlorine dioxide

Cas Number:

10049-04-4

Molecular formula:

ClO2

IUPAC Name:

Chlorine Dioxide

Results and discussion

Degradation rate constant

Reaction with:

OH radicals

Rate constant:

ca. 6.8 cm³ molecule-1 s-1

Any other information on results incl. tables

Table A7_3_1-1: Equilibrium constants for identified reactions(page 3-2; p 64 of 380 viewed as PDF)

Reaction	A/cm^3molecule^-1	B/°K	Keq (298K)	f (298K)	g	Notes
Cl + O2 → ClOO	5.7E-25	2500	2.5E-21	2	750	10
ClO + O2 → ClO·O2	2.9E-26	3700	7.2E-21			12
ClO + ClO → Cl2O2	1.27E-27	8744	7.0E-15	1.3	500	13
ClO + OClO → Cl2O3	1.1E-24	5455	9.8E-17	3	300	14
OClO + NO3 → OClONO2	1E-28	9300	3.6E-15	5	1000	15

Where           K(T)/cm³molecule^-1 = A exp (B/T) [200 300K]

Table A7_3_1-2: Rate constants for association reactions (termolecular reactions) (from p 2-5; p45 of 380)

Reaction	Low-pressure limit		High-pressure limit		Notes
	k0^300	n	k∞^300	m
M Cl + O2 → ClOO	2.7 ± 1.0 (-33)	1.5 ± 0.5	-	-	F1
M ClO + NO2 → ClONO2	1.8 ± 0.3 (-31)	3.4 ± 0.2	1.5 ± 0.4 (-11)	1.9 ± 0.5	F8
M OClO + NO3 → O2ClONO2	-	-	-	-	F9
M Cl O+ ClO → Cl2O2	1.6 (-32)	4.5	2.0 (-12)	2.4	F10 *
M ClO + OClO → Cl2O3	6.2 ± 1.0 (-32)	4.7 ± 0.6	2.4 ±1.2 (-11)	0 ± 1.0	F11
M OClO + O → ClO3	1.9 ± 0.5 (-31)	1.1 ± 1.0	3.1 ± 0.8 (-11)	0 ± 1.0	F12

Table A7_3_1-3: Rate constants for other reactions (second-order) (from p 1-16; p 139 of 380)

Reaction	A factor  (cm^3molecule^-1s^-1)	E/R	k (298K) (cm^3molecule^-1s^-1)	f (298K)	g	Notes
O + ClO → Cl + O2	3.0E-11	-70	3.8E-11	1.15	70	F1
O + OClO → Cl + O2	2.4E-12	960	1.0E-13	2.0	300	F2
O3 + OClO → products	2.1E-12	4700	3.0E-19	2.5	1000	F7
OH + ClO → Cl + HO2                   → HCl + O2	7.4E-12 6.0E-13	-270 -230	1.8E-11 1.3E-12	1.4 3.0	100 150	F10
OH + OClO → HOCl + O2	4.5E-13	-800	6.8E-12	2.0	200	F11
HO2 + ClO → HOCl + O2	2.7E-12	-220	5.6E-12	1.3	200	F46
NO + OClO → NO2 + ClO	2.5E-12	600	3.4E-13	2.0	300	F48
Cl + OClO → ClO + ClO	3.4E-11	-160	5.8E-11	1.25	200	F79
Cl + ClOO → Cl2 + O2	2.3E-10	0	2.3E-10	3.0	250	F80
→ ClO + ClO	1.2E-11	0	1.2E-11	3.0	250	F80
ClO + O3 → ClOO + O2                 → OClO + O2	- 1E-12	- >4000	1.4E-17 1.0E-18	- -	- -	F109
ClO + H2 → products	-1E-12	>4800	1.0E-19	-	-	F110
ClO + NO → NO2 + Cl	6.4E-12	-290	1.7E-11	1.15	100	F111
ClO + NO3 → ClOO + NO2	4.7E-13	0	4.7E-13	1.5	400	F112
ClO + NO2 → products	~1.0E-12	>4300	6.0E-19	-	-	F113
ClO + CO → products	~1.0E-12	>3700	4.0E-18	-	-	F114
ClO + CH4 → products	~1.0E-12	>3700	4.0E-18	-	-	F115
ClO + H2CO → products	~1.0E-12	>2100	1.0E-15	-	-	F116
ClO + CH3O2 → products	3.3E-12	115	2.2E-12	1.5	115	F117
ClO + ClO → Cl2 + O2                   → ClOO + Cl                   → OClO + Cl	1.0E-12 3.0E-11 3.5E-13	1590 2450 1370	4.8E-15 8.0E-15 3.5E-15	1.5 1.5 1.5	300 500 300	F118

f(298K) is the uncertainty at 298K