10967/131 - QDB Compounds

QsarDB Repository

Pan, Y.; Zhang, Y.; Jiang, J.; Ding, L. Prediction of the self-accelerating decomposition temperature of organic peroxides using the quantitative structure–property relationship (QSPR) approach. J. Loss Prev. Process Ind. 2014, 31, 41–49.

41 compounds | Property SADT: Self-accelerating decomposition temperature [°C]

IDNameSADTRefDetails
1m-Bis(tert-butylperoxyisopropyl)benzene 80.8[1]View
2Di-tert-butyl peroxide80.9[1]View
3Di-tert-amyl peroxide i70.4[1]View
4tert-Butyl peroxybenzoate65.8[1]View
5Ditetradecyl peroxydicarbonate19.2[1]View
6Dicetyl peroxydicarbonate i19.9[1]View
7Dicumyl peroxide77.8[1]View
8Cyclohexanone peroxide80[2]View
9Lauroyl peroxide 49[3]View
10Cumyl tert-butyl peroxide 77.1[1]View
11tert-Butyl peroxyneodecanoate 12.7[1]View
12Cumyl peroxyneodecanoate i7.8[1]View
131-(Acetyloxy)-2-propanone64[3]View
14tert-Butyl hydroperoxide120.4[1]View
15tert-Butyl peroxyacetate i65[4]View
16Acetylacetone peroxide i55[4]View
17Diisopropylbenzene hydroperoxide i65[4]View
18tert-Butyl peroxypivalate23.1[1]View
192,5-Dimethyl-2,5-di-(benzoylperoxy)hexane69[3]View
20tert-Amyl perpivalate21.6[1]View
21tert-Buty-peroxy 2-ethylhexanoate i36[1]View
221,1-Di(tert-butylperoxy)3,3,5-trimethylcyclohexane50.2[1]View
231,1-Di(tert-butylperoxy)cyclohexane60[1]View
242,5-Dimethyl-2,5-di(tert-butylperoxy)-hexane80.7[1]View
25bis(4-tert-butylcyclohexyl) peroxydicarbonate17.4[1]View
26Di-(2-ethylhexyl)peroxydicarbonate15.4[1]View
27di-butyl peroxydicarbonate15.1[1]View
28bis(3,5,5-trimethylhexanoyl) peroxide26.9[1]View
292,5-Dimethyl-2,5-di(2-ethylhexanoylperoxy)hexane38.6[1]View
302,2-Di-(tert-butylperoxy)butane64.4[1]View
31tert-Butylperoxy isopropyl carbonate i62.2[1]View
32tert-Butylperoxy 2-ethylhexyl carbonate i64.7[1]View
33di-isopropyl benzene monohydroperoxide i85.7[1]View
34Benzoyl peroxide80[4]View
35Cumene hydroperoxide84.3[1]View
36tert-Amyl peroxyneodecanoate10.8[1]View
37p-Menthane hydroperoxide i67[4]View
38tert-Amyl peroxy-2-ethylhexanoate i38.3[1]View
392,4,4-trimethylpentyl-2-peroxyneodecanoate i9.3[1]View
40Decanoyl peroxide31[1]View
412,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne i84.8[1]View

Bibliography

  1. Bosch, C. M.; Velo, E.; Recasens, F. Safe storage temperature of peroxide initiators: prediction of self-accelerated decomposition temperature based on a runaway heuristics. Chemical Engineering Science 2001, 56, 1451-1457. http://dx.doi.org/10.1016/s0009-2509(00)00370-5

  2. Ding, L.; Zhang, L.; Sheng, Y.; Yan, S. SADT calculation of solid organic peroxides based on small sample mass of heterogeneous reaction. Huagong Xuebao/CIESC Journal 2009, 60, 1062-1067.

  3. Sun, J.; Li, Y.; Hasegawa, K. A study of self-accelerating decomposition temperature (SADT) using reaction calorimetry. Journal of Loss Prevention in the Process Industries 2001, 14, 331-336. http://dx.doi.org/10.1016/s0950-4230(01)00024-9

  4. Yu, Y.; Hasegawa, K. Derivation of the self-accelerating decomposition temperature for self-reactive substances using isothermal calorimetry. Journal of Hazardous Materials 1996, 45, 193-205. http://dx.doi.org/10.1016/0304-3894(95)00092-5