Significance of Theoretical Decomposition Enthalpies for Predicting Thermal Hazards

Table 4

Same data as in Table 2 for the 35 ortho compounds studied in pin-hole sample cells.

Name	(eV)	(eV)			Equation (2)	Equation (4)	(DSC) [4]
5-Chloro-2-nitrobenzotrifluoride	6.208	9.080		631	385	411	40
2-Nitrophenol	5.372	8.602		583	356	347	123
4-Fluoro-2-nitrotoluene	5.547	8.856		621	379	370	129
2-Nitrobenzene acetic acid	5.618	9.265		632	386	365	175
1-Methyl-2-nitrobenzene	5.319	9.296		526	321	287	182
2,6-Dinitrobenzoic acid	6.657	9.532		1001	611	665	222
2-Nitroanisole	5.135	8.911		651	397	357	230
2-Nitrobenzamide	5.776	9.554		617	377	355	256
2-nitrobenzoic acid	5.917	9.500		614	375	364	271
2-Nitrobenzoic acid, methyl ester	5.841	9.510		688	420	402	274
2-Nitroaniline	4.773	8.283		525	320	288	280
N-(2-Nitrophenyl)-acetamide	5.133	8.292		597	365	352	297
2-Nitroacetophenone	5.798	9.399		641	391	376	308
2-Nitrobenzaldehyde	5.846	9.376		660	403	392	318
2-Nitrobenzenemethanol	5.646	9.284		613	374	355	319
4-Chloro-1,2-dinitrobenzene	6.367	9.024		946	578	636	342
2-Nitrobenzenesulfenylchloride	5.355	7.735		570	348	375	344
3-Methyl-4-nitrophenol	5.301	9.002		576	351	323	345
4-Chloro-2-nitrobenzenamine	4.972	8.098		517	316	302	349
4-Chloro-3-nitrobenzoic acid	6.012	9.049		593	362	375	354
(2-Nitrophenyl)-hydrazine	4.722	8.126		661	404	366	381
2,4-Dinitrobenzoic acid	6.735	9.318		988	603	680	394
1,5-Difluoro-2,4-dinitrobenzene	6.747	9.290		1054	644	729	439
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde	5.356	8.513		753	460	451	450
2-Nitro-5-thiocyanatobenzoic acid	5.702	8.277		765	467	502	492
2,4-Dinitrobenzenamine	5.501	8.493		924	564	570	597
2-Nitrobenzoic acid, hydrazide	5.647	9.111		734	448	433	598
2-Nitrocinnamic acid	5.634	9.059		712	434	421	600
2,4-Dinitrotoluene	6.195	9.226		963	588	616	632
4-Methyl-1,2-dinitrobenzene	6.113	9.225		973	594	614	684
3,4-Dinitrobenzenemethanol	6.100	9.199		1019	622	643	685
3,4-Dinitrobenzoic acid	6.684	9.341		996	608	679	701
2,6-Dinitrobenzenamine	5.580	8.103		932	569	611	719
2-Chloro-3,5-dinitrobenzoic acid	6.614	9.046		976	596	680	1023
2-Methyl-1,3,5-trinitrobenzene	6.807	9.328		1350	824	938	1223