Chen The electron capture detector

		TABLES OF EVALUATED ELECTRON AFFINITIES				367
TABLE A4.3		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
1.15(9)	1.149	30,50-Bis(trifluoromethyl)acetophenone	256	T		[10]
		(C10H6F6O)
1.29(9)	1.232	3,5-Bis(trifluoromethyl)benzaldehyde	242	T		[10]
		(C9H4F6O)
1.3(1)	0.77	Di-MeTerephthalate tetraCl-	332	E	this work
		(C10H6Cl4O4)
2.1(15)	1.461	Fluoro-p-benzoquinone (C6H3FO2)	126	M		[15]
1.5(2)	1.5	Hexafluoroglutaric acid anhydride	222	A		[24]
		(C5F6O3)
1.52(10)	1.522	Methanone, bis(pentafluorophenyl)-	362	T		[25]
		(C13F10O)
1.67(9)	1.67	3,6-Dichloro-phthalic anhydride	217	T		[13]
		(C8H2Cl2O3)
1.71(6)	1.709	9,10-Anthracenedione, 1-chloro-	243	T		[26]
		(C14H7ClO2)
1.90(9)	1.904	Dichloromaleic anhydride (C4Cl2O3)	167	T		[13]
1.95(5)	1.951	Cl-triMe-p-benzoquinone (C9H9ClO2)	185	T		[11]
1.96(9)	1.956	1,3-Isobenzofurandione, 4,5,6,7-tetraCl-	286	T		[11]
		(C8Cl4O3)
2.02(5)	2.016	2-Cl-3,6-diMe-p-benzoquinone	171	T		[11]
		(C8H7ClO2)
2.11(5)	2.112	2-Chloro-5-methyl-p-benzoquinone	157	T		[11]
		(C7H5ClO2)
2.15(5)	2.147	2-Cl-5-tBu-p-benzoquinone (C10H11ClO2)	198	T		[11]
2.21(9)	2.207	1,4-Naphthalenedione, 2,3-dichloro-	227	T		[26]
		(C10H4Cl2O2)
2.23(5)	2.229	2,5-diCl-3,6-diMe-p-benzoquinone	205	T		[11]
		(C8H6Cl2O2)
2.33(5)	2.333	2,3-diCl-tBu-p-benzoquinone	233	T		[11]
		(C10H10Cl2O2)
2.40(3)	2.437	2,5-Dichloro-1,4-benzoquinone	177	T	[11, 26]
		(C6H2Cl2O2)
2.48(3)	2.48	2,6-Dichloro-1,4-benzoquinone	177	T	[11, 26]
		(C6H2Cl2O2)
2.54(5)	2.545	Me-triCl-p-benzoquinone (C7H3Cl3O2)	226	T		[11]
2.61(5)	2.611	Trichlorobenzoquinone (C6HCl3O2)	212	T		[11]
2.70(10)	2.702	p-Benzoquinone, 2,3,5,6-tetrafluoro-	180	A, T		[27]
		(C6F4O2)
2.77(5)	2.775	p-Benzoquinone, 2,3,5,6-tetrachloro-	246	M, A, T		[27]
		(C6Cl4O2)

368	APPENDIX IV
TABLE A4.4 CHOX Molecules by Molecular Weight (in eV)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
0.57(5)	0.486	Benzaldehyde, 4-fluoro- (C7H5FO)	124	E	[4]
0.66(4)	0.637	Benzaldehyde, 2-fluoro- (C7H5FO)	124	E	[4]
0.67(3)	0.668	3-FC6H4CHO (C7H5FO)	124	E	[4]
2.1(15)	1.461	Fluoro-p-benzoquinone (C6H3FO2)	126	M	[15]
0.52(5)	0.395	Ethanone, 1-(4-fluorophenyl)- (C8H7FO)	138	E	[4]
0.49(3)	0.442	o-Fluoroacetophenone (C8H7FO)	138	E	[4]
0.58(3)	0.577	Ethanone, 1-(3-fluorophenyl)- (C8H7FO)	138	E	[4]
0.68(9)	0.659	Benzaldehyde, 4-chloro- (C7H5ClO)	141	T	[9, 10]
0.71(9)	0.668	Benzaldehyde, 3-chloro- (C7H5ClO)	141	T	[9, 10]
0.64(5)	0.585	Ethanone, 1-(4-chlorophenyl)- (C8H7ClO)	155	E, T	[1, 9–11]
0.67(5)	0.616	Acetophenone, 30-chloro- (C8H7ClO)	155	E	[4]
2.11(5)	2.112	2-Chloro-5-methyl-p-benzoquinone	157	T	[11]
		(C7H5ClO2)
0.44(9)	0.442	2-Propanone, 1,1,1,3,3,3-hexafluoro-	166	E	[23]
		(C3F6O)
1.90(9)	1.904	Dichloromaleic anhydride (C4Cl2O3)	167	T	[13]
2.02(5)	2.016	2-Cl-3,6-diMe-p-benzoquinone	171	T	[11]
		(C8H7ClO2)
0.5(2)	0.5	Tetrafluorosuccinic anhydride (C4F4O3)	172	A	[24]
0.85(10)	0.815	Benzaldehyde, 3-(trifluoromethyl)-	174	T	[9, 10]
		(C8H5F3O)
0.97(10)	0.941	p-CF3C6H4CHO (C8H5F3O)	174	T	[10]
0.98(10)	0.984	Ethanone, 2,2,2-trifluoro-1-phenyl-	174	T	[10]
		(C8H5F3O)
1.03(9)	0.989	3,5-Dichlorobenzaldehyde (C7H4Cl2O)	175	T	[10]
2.40(3)	2.437	2,5-Dichloro-1,4-benzoquinone	177	T	[11, 26]
		(C6H2Cl2O2)
2.48(3)	2.48	2,6-Dichloro-1,4-benzoquinone	177	T	[11, 26]
		(C6H2Cl2O2)
0.22(5)	0.217	2,3,5,6-Tetrafluoroanisole (C7H4F4O)	180	E	[22]
2.60(10)	2.702	p-Benzoquinone, 2,3,5,6-tetrafluoro-	180	A, T	[27]
		(C6F4O2)
1.95(5)	1.951	Cl-triMe-p-benzoquinone (C9H9ClO2)	185	T	[11]
0.79(5)	0.642	20-(Trifluoromethyl)acetophenone	188	E	[4]
		(C9H7F3O)
0.79(5)	0.768	3-CF3-C6H4-COCH3 (C9H7F3O)	188	T, E	[1, 4, 9, 10]
0.90(10)	0.898	4-CF3-C6H4-COCH3 (C9H7F3O)	188	T	[10]
1.10(10)	1.097	Pentafluorobenzaldehyde (C7HF5O)	196	T	[25]
0.55(5)	0.542	Benzene, pentafluoromethoxy- (C7H3F5O)	198	E	[22]
2.15(5)	2.147	2-Cl-5-tBu-p-benzoquinone
		(C10H11ClO2)	198	T	[11]
0.70(5)	0.62	P-fluorobenzophenone (C13H9FO)	200	T	[9, 10, 12]
0.28(5)	0.282	mF-C6H4CH2OPh (C13H11FO)	202	E	[22]
0.61(10)	0.624	4-CF3-C6H4-COOCH3 (C9H7F3O2)	204	T	[9, 10]
0.74(9)	0.746	3-CF3-C6H4-COOCH3 (C9H7F3O2)	204	T	[9, 10]
0.75(9)	0.75	Methyl 3,5-diCl-benzoate (C8H6Cl2O2)	205	T	[9, 10]

		TABLES OF EVALUATED ELECTRON AFFINITIES				369
TABLE A4.4		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
2.23(5)	2.229	2,5-diCl-3,6-diMe-p-benzoquinone	205	T		[11]
		(C8H6Cl2O2)
0.88(9)	0.876	20,30,40,50,60-Pentafluoroacetophenone	210	T		[25]
		(C8H3F5O)
2.61(5)	2.611	Trichlorobenzoquinone (C6HCl3O2)	212	T		[11]
0.83(9)	0.833	Methanone, (4-chlorophenyl)phenyl-	217	T	[9, 10]
		(C13H9ClO)
0.86(9)	0.872	Methanone, (3-chlorophenyl)phenyl-	217	T	[9, 10]
		(C13H9ClO)
1.67(9)	1.67	3,6-Dichloro-phthalic anhydride	217	T		[13]
		(C8H2Cl2O3)
0.80(10)	0.776	4,40-Difluorobenzophenone (C13H8F2O)	218	T	[9, 10]
1.5(2)	1.5	Hexafluoroglutaric acid anhydride	222	A		[24]
		(C5F6O3)
2.54(5)	2.545	Me-triCl-p-benzoquinone (C7H3Cl3O2)	226	T		[11]
2.21(9)	2.207	1,4-Naphthalenedione, 2,3-dichloro-	227	T		[26]
		(C10H4Cl2O2)
2.33(5)	2.333	2,3-diCl-tBu-p-benzoquinone	233	T		[11]
		(C10H10Cl2O2)
1.29(9)	1.232	3,5-Bis(trifluoromethyl)benzaldehyde	242	T		[10]
		(C9H4F6O)
1.71(6)	1.709	9,10-Anthracenedione, 1-chloro-	243	T		[26]
		(C14H7ClO2)
2.77(5)	2.775	p-Benzoquinone, 2,3,5,6-tetrachloro-	246	M, A, T		[27]
		(C6Cl4O2)
0.96(10)	0.958	3-(Trifluoromethyl)benzophenone	250	T		[10]
		(C14H9F3O)
1.08(9)	1.075	4-Trifluoromethylbenzophenone	250	T		[10]
		(C14H9F3O)
1.15(9)	1.106	3,5-diCl-benzophenone (C13H8Cl2O)	251	T		[10]
1.15(9)	1.149	30,50-Bis(trifluoromethyl)acetophenone	256	T		[10]
		(C10H6F6O)
1.00(9)	1.006	Methyl 3,5-diCF3-benzoate (C10H6F6O2)	272	T		[10]
1.96(9)	1.956	1,3-Isobenzofurandione, 4,5,6,7-tetraCl-	286	T		[11]
		(C8Cl4O3)
1.3(1)	0.77	Di-Meterephthalate tetraCl-,	332	E	this work
		(C10H6Cl4O4)
1.52(10)	1.522	Methanone, bis(pentafluorophenyl)-	362	T		[25]
		(C13F10O)

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2.Zlatkis, A.; Lee, C. K.; Wentworth, W. E.; and Chen, E. C. M. Anal. Chem. 1983, 55, 1596.

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370 APPENDIX IV

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TABLE A5.1 CHON Molecules by Value (in eV)

EVAL	NIST	Name/Formula	MW	Mtd.	Reference
0.50(2)	0.486	Methane, nitro- (CH3NO2)	61	A, E, P, T	[1, 2, 3]
0.56(5)	0.086	Cytosine (C4H5N3O)	111	text	this work
0.56(5)	0.230	Cytosine (C4H5N3O)	111	text	this work
0.65(1)	0.650	Benzene, (nitromethyl)- (C7H7NO2)	137	E	[1]
0.66(10)	0.663	Anisole, 3,5-dimethyl-4-nitro-	181	E, CI	[4, 5]
		(C9H11NO3)
0.74(4)	0.711	Benzene, 1,3,5-trimethyl-2-nitro-	165	T	[5–8]
		(C9H11NO2)

		TABLES OF EVALUATED ELECTRON AFFINITIES				371
TABLE A5.1		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
0.75(9)	0.750	Benzenamine, 3,5-dimethyl-4-nitro-	166	T		[6]
		(C8H10N2O2)
0.79(5)	0.069	Thymine (C5H6N2O2)	126	text	this work
0.80(5)	0.086	Uracil (C4H4N2O2)	112	text	this work
0.80(5)	0.811	Benzene, 1,3-dimethyl-2-nitro-	151	E, T		[6, 7],
		(C8H9NO2)			this work
0.85(9)	0.854	Ethyldiazoacetate (C4H6N2O2)	114			[9]
0.88(5)	0.880	Benzene, 2,4-dimethyl-1-nitro-	151	E, T		[7],
		(C8H9NO2)			this work
0.89(5)	0.911	Benzene, 1-methoxy-4-nitro- (C7H7NO3)	153	T		[6, 8]
0.90(3)	0.924	Benzene, 1-methyl-2-nitro- (C7H7NO2)	137	E, T	[7, 8, 10]
0.90(5)	0.854	Benzene, 1,2-dimethyl-3-nitro-	151	E, T		[7, 8],
		(C8H9NO2)			this work
0.92(3)	0.924	Benzene, 1,2-dimethyl-4-nitro- (C8H9NO2)	151	E, T		[7, 10]
0.92(7)	0.850	4-Cyanobenzoic acid methyl ester	161			[5, 6]
		(C9H7NO2)
0.92(9)	0.915	p-Nitroaniline (C6H6N2O2)	138	T		[6]
0.95(3)	0.954	Benzene, 1-methyl-4-nitro- (C7H7NO2)	137	E, T	[6–9, 10]
0.95(9)	0.945	m-Nitroaniline (C6H6N2O2)	138	T		[11]
0.98(3)	0.989	Benzene, 1-methyl-3-nitro- (C7H7NO2)	137	T, E	[6–9, 10]
0.98(6)	0.984	Benzenamine, N,N-dimethyl-3-nitro-	166	E, T		[7]
		(C8H10N2O2)
0.98(8)	1.006	3-Cyanobenzaldehyde (C8H5NO)	131	T		[5, 8]
1.00(1)	1.006	Benzene, nitro- (C6H5NO2)	123	E, P, T, N		[10,
					12–14]
1.02(9)	1.015	Phthalimide (C8H5NO2)	147	T		[15]
1.03(10)	1.028	Naphthalene, 2-methyl-1-nitro-	187	T		[16]
		(C11H9NO2)
1.04(10)	1.040	Benzene, 1-methoxy-3-nitro- (C7H7NO3)	153	T		[14]
1.07(10)	1.067	1,10-Biphenyl, 2-nitro- (C12H9NO2)	199	T		[11]
1.1(1)	2.168	p-t-Amyl-nitrobenzene radical	193	CI		[21]
		(C11H15NO2)
1.10(9)	1.101	Naphthalene, 1-methoxy-4-nitro-	203	T		[14]
		(C11H9NO3)
1.12(10)	1.123	1,10-Biphenyl, 3-nitro- (C12H9NO2)	199	T		[11]
1.12(9)	1.114	N-methylmaleimide (C5H5NO2)	111	T		[15]
1.12(9)	1.123	1H-pyrrole-2,5-dione, 1-ethyl-	125	T		[15]
		(C6H7NO2)
1.13(9)	1.127	Benzeneacetonitrile, a-oxo- (C8H5NO)	131	T		[6]
1.13(9)	1.132	Benzonitrile, 4-acetyl- (C9H7NO)	145	T		[17]
1.15(9)	1.153	N-phenylphthalic acid imide (C14H9NO2)	223	T		[15]
1.15(9)	1.153	1H-pyrrole-2,5-dione (C4H3NO2)	97	T		[15]
1.16(9)	1.184	Naphthalene, 2-nitro- (C10H7NO2)	173	T		[16]
1.19(9)	1.201	2,6-diMe-4-CO2Me-nitrobenzene	209	T		[5, 6]
		(C10H11NO4)
1.20(10)	1.201	1,10-Biphenyl, 4-nitro- (C12H9NO2)	199	T		[11]

372	APPENDIX IV
TABLE A5.1		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
1.20(5)	1.210	5-Nitro-m-xylene (C8H9NO2)	151	P	[18]
1.20(8)	1.219	Benzonitrile, 4-formyl- (C8H5NO)	131	T	[5, 8]
1.23(9)	1.227	3-O2N-C6H4-COOCH3 (C8H7NO4)	181	T	[6]
1.23(9)	1.227	Naphthalene, 1-nitro- (C10H7NO2)	173	T	[16]
1.26(9)	1.258	4-Cyanobenzophenone (C14H9NO)	207	T	[6]
1.28(9)	1.284	3-Nitrobenzophenone (C13H9NO3)	227	T	[6]
1.30(9)	1.309	2,6-diMe-4-COMe-nitrobenzene	193	T	[5, 6]
		(C10H11NO3)
1.33(9)	1.327	3-Nitroacetophenone (C8H7NO3)	165	T	[11]
1.36(9)	1.362	N-Phenylmaleimide (C10H7NO2)	173	T	[15]
1.38(9)	1.391	2,6-diMe-4-CHO-nitrobenzene (C9H9NO3)	179	T	[5, 6]
1.39(9)	1.388	2,3-Pyridinedicarboxylic anhydride	149	T	[15]
		(C7H3NO3)
1.39(9)	1.431	Benzaldehyde, 3-nitro- (C7H5NO3)	151	T	[5, 11]
1.40(9)	1.396	Ethanone, 1-(2-nitrophenyl)- (C8H7NO3)	165	T	[11]
1.41(9)	1.430	2,6-diMe-4-CN-nitrobenzene (C9H8N2O2)	176	T	[5, 6]
1.43(10)	1.431	Anthracene, 9-nitro- (C14H9NO2)	223	T	[16]
1.47(5)	1.470	Benzene, 2-methyl-1,3-dinitro-	182	T	[7]
		(C7H6N2O4)
1.48(9)	1.461	4-Nitrobenzoic acid methyl ester	181	T	[6, 19]
		(C8H7NO4)
1.51(5)	—	Guanine (C5H3N5O)	149	text	this work
1.56(9)	1.557	Benzaldehyde, 2-nitro- (C7H5NO3)	151	T	[11]
1.57(5)	1.565	Benzonitrile, 3-nitro- (C7H4N2O2)	148	T	[7]
1.57(9)	1.565	Acetophenone, 40-nitro- (C8H7NO3)	165	T	[6, 11]
1.57(9)	1.570	4-Nitrobenzophenone (C13H9NO3)	227	T	[6]
1.60(5)	1.600	Benzene, 1-methyl-2,4-dinitro-	182	P	[18]
		(C7H6N2O4)
1.61(9)	1.609	2-Nitrobenzoic acid nitrile (C7H4N2O2)	148	T	[17]
1.65(10)	1.648	Nitroethylene (C2H3NO2)	73	Misc.	[20]
1.65(10)	1.652	Benzene, 1,2-dinitro- (C6H4N2O4)	168	T	[7, 14]
1.66(10)	1.657	Benzene, 1,3-dinitro- (C6H4N2O4)	168	T	[7, 14]
1.66(9)	1.660	Benzene, 1,3-dimethyl-2,5-dinitro-	196	T	[5, 6]
		(C8H8N2O4)
1.68(8)	1.691	Benzaldehyde, 4-nitro- (C7H5NO3)	151	T	[5, 6, 11]
1.71(9)	1.726	Benzonitrile, 4-nitro- (C7H4N2O2)	148	T	[5, 6, 8]
1.77(10)	1.765	Naphthalene, 1,5-dinitro- (C10H6N2O4)	218	T	[16]
1.77(5)	1.770	Benzene, 1-methyl-2,3-dinitro-	182	T	[18]
		(C7H6N2O4)
1.77(5)	1.770	Benzene, 4-methyl-1,2-dinitro-	182	T	[18]
		(C7H6N2O4)
1.78(8)	1.782	Naphthalene, 1,3-dinitro- (C10H6N2O4)	218	T	[16]
2.00(9)	2.003	Benzene, 1,4-dinitro- (C6H4N2O4)	168	T	[7, 14]
2.05(9)	2.051	3-Nitrophthalic anhydride (C8H3NO5)	193	T	[15]
2.13(9)	2.129	4-Nitrophthalic anhydride (C8H3NO5)	193	T	[15]
2.16(10)	2.160	Benzonitrile, 3,5-dinitro- (C7H3N3O4)	193	T	[8]
2.63(3)	2.628	1,3,5-Trinitrobenzene (C6H3N3O6)	213	M	[22]

TABLES OF EVALUATED ELECTRON AFFINITIES

373

TABLE A5.2 CHON Molecules by Molecular Weight (in eV)

EVAL	NIST	Name/Formula	MW	Mtd.	Reference
0.50(2)	0.486	Methane, nitro- (CH3NO2)	61	A, E, P, T	[1, 2, 3]
1.65(10)	1.648	Nitroethylene (C2H3NO2)	73	Misc.	[20]
1.15(9)	1.153	1H-pyrrole-2,5-dione (C4H3NO2)	97	T	[15]
0.56(5)	0.086	Cytosine (C4H5N3O)	111	text	this work
0.56(5)	0.230	Cytosine (C4H5N3O)	111	text	this work
1.12(9)	1.114	N-methylmaleimide (C5H5NO2)	111	T	[15]
0.80(5)	0.086	Uracil (C4H4N2O2)	112	text	this work
0.85(9)	0.854	Ethyldiazoacetate (C4H6N2O2)	114	Misc.	[9]
1.00(1)	1.006	Benzene, nitro- (C6H5NO2)	123	E, P, T, N	[10, 12–14]
1.12(9)	1.123	1H-pyrrole-2,5-dione, 1-ethyl- (C6H7NO2)	125	T	[15]
0.79(5)	0.069	Thymine (C5H6N2O2)	126	text	this work
0.98(8)	1.006	3-Cyanobenzaldehyde (C8H5NO)	131	T	[5, 8]
1.13(9)	1.127	Benzeneacetonitrile, a-oxo- (C8H5NO)	131	T	[6]
1.20(8)	1.219	Benzonitrile, 4-formyl- (C8H5NO)	131	T	[5, 8]
0.65(1)	0.650	Benzene, (nitromethyl)- (C7H7NO2)	137	E	[1]
0.90(3)	0.924	Benzene, 1-methyl-2-nitro- (C7H7NO2)	137	E, T	[7, 8, 10]
0.95(3)	0.954	Benzene, 1-methyl-4-nitro- (C7H7NO2)	137	E, T	[6–10]
0.98(3)	0.989	Benzene, 1-methyl-3-nitro- (C7H7NO2)	137	T, E	[6–10]
0.92(9)	0.915	p-Nitroaniline (C6H6N2O2)	138	T	[6]
0.95(9)	0.945	m-Nitroaniline (C6H6N2O2)	138	T	[11]
1.13(9)	1.132	Benzonitrile, 4-acetyl- (C9H7NO)	145	T	[17]
1.51(5)	—	Guanine(C5H3N5O)	149	text	this work
1.02(9)	1.015	Phthalimide (C8H5NO2)	147	T	[15]
1.57(5)	1.565	Benzonitrile, 3-nitro- (C7H4N2O2)	148	T	[7]
1.61(9)	1.609	2-Nitrobenzoic acid nitrile (C7H4N2O2)	148	T	[17]
1.71(9)	1.726	Benzonitrile, 4-nitro- (C7H4N2O2)	148	T	[5, 6, 8]
1.39(9)	1.388	2,3-Pyridinedicarboxylic anhydride	149	T	[15]
		(C7H3NO3)
0.80(5)	0.811	Benzene, 1,3-dimethyl-2-nitro-	151	E, T	[6, 7],
		(C8H9NO2)			this work
0.88(5)	0.880	Benzene, 2,4-dimethyl-1-nitro-	151	E, T	[7],
		(C8H9NO2)			this work
0.90(5)	0.854	Benzene, 1,2-dimethyl-3-nitro-	151	E, T	[7, 8],
		(C8H9NO2)			this work
0.92(3)	0.924	Benzene, 1,2-dimethyl-4-nitro-	151	E, T	[7, 10]
		(C8H9NO2)
1.20(5)	1.210	5-Nitro-m-xylene (C8H9NO2)	151	P	[18]
1.39(9)	1.431	Benzaldehyde, 3-nitro- (C7H5NO3)	151	T	[5, 11]
1.56(9)	1.557	Benzaldehyde, 2-nitro- (C7H5NO3)	151	T	[11]
1.68(8)	1.691	Benzaldehyde, 4-nitro- (C7H5NO3)	151	T	[5, 6, 11]
0.89(5)	0.911	Benzene, 1-methoxy-4-nitro- (C7H7NO3)	153	T	[6, 8]
1.04(10)	1.040	Benzene, 1-methoxy-3-nitro- (C7H7NO3)	153	T	[14]
0.92(7)	0.850	4-Cyanobenzoic acid methyl ester	161	T	[5, 6]
		(C9H7NO2)
0.74(4)	0.711	Benzene, 1,3,5-trimethyl-2-nitro-	165	T	[5–8]
		(C9H11NO2)

374	APPENDIX IV
TABLE A5.2		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
1.33(9)	1.327	3-Nitroacetophenone (C8H7NO3)	165	T	[11]
1.40(9)	1.396	Ethanone, 1-(2-nitrophenyl)- (C8H7NO3)	165	T	[11]
1.57(9)	1.565	Acetophenone, 40-nitro- (C8H7NO3)	165	T	[6, 11]
0.75(9)	0.750	Benzenamine, 3,5-dimethyl-4-nitro-	166	T	[6]
		(C8H10N2O2)
0.98(6)	0.984	Benzenamine, N,N-dimethyl-3-nitro-	166	E, T	[7]
		(C8H10N2O2)
1.65(10)	1.652	Benzene, 1,2-dinitro- (C6H4N2O4)	168	T	[7, 14]
1.66(10)	1.657	Benzene, 1,3-dinitro- (C6H4N2O4)	168	T	[7, 14]
2.00(9)	2.003	Benzene, 1,4-dinitro- (C6H4N2O4)	168	T	[7, 14]
1.16(9)	1.184	Naphthalene, 2-nitro- (C10H7NO2)	173	T	[16]
1.23(9)	1.227	Naphthalene, 1-nitro- (C10H7NO2)	173	T	[16]
1.36(9)	1.362	N-phenylmaleimide (C10H7NO2)	173	T	[15]
1.41(9)	1.430	2,6-diMe-4-CN-nitrobenzene (C9H8N2O2)	176	T	[5, 6]
1.38(9)	1.391	2,6-diMe-4-CHO-nitrobenzene (C9H9NO3)	179	T	[5, 6]
0.66(10)	0.663	Anisole, 3,5-dimethyl-4-nitro- (C9H11NO3) 181		CI	[4, 5]
1.23(9)	1.227	3-O2N-C6H4-COOCH3 (C8H7NO4)	181	T	[6]
1.48(9)	1.461	4-Nitrobenzoic acid methyl ester	181	T	[6, 19]
		(C8H7NO4)
1.47(5)	1.470	Benzene, 2-methyl-1,3-dinitro-	182	T	[7]
		(C7H6N2O4)
1.60(5)	1.600	Benzene, 1-methyl-2,4-dinitro-	182	P	[18]
		(C7H6N2O4)
1.77(5)	1.770	Benzene, 1-methyl-2,3-dinitro-	182	T	[18]
		(C7H6N2O4)
1.77(5)	1.770	Benzene, 4-methyl-1,2-dinitro-	182	T	[18]
		(C7H6N2O4)
1.03(10)	1.028	Naphthalene, 2-methyl-1-nitro-	187	T	[16]
		(C11H9NO2)
1.1(1)	2.168	p-t-Amyl-nitrobenzene (C11H15NO2)	193	CI	[21]
1.30(9)	1.309	2,6-diMe-4-COMe-nitrobenzene	193	T	[5, 6]
		(C10H11NO3)
2.05(9)	2.051	3-Nitrophthalic anhydride (C8H3NO5)	193	T	[15]
2.13(9)	2.129	4-Nitrophthalic anhydride (C8H3NO5)	193	T	[15]
2.16(10)	2.160	Benzonitrile, 3,5-dinitro- (C7H3N3O4)	193	T	[8]
1.66(9)	1.660	Benzene, 1,3-dimethyl-2,5-dinitro-	196	T	[5, 6]
		(C8H8N2O4)
1.07(10)	1.067	1,10-Biphenyl, 2-nitro- (C12H9NO2)	199	T	[11]
1.12(10)	1.123	1,10-Biphenyl, 3-nitro- (C12H9NO2)	199	T	[11]
1.20(10)	1.201	1,10-Biphenyl, 4-nitro- (C12H9NO2)	199	T	[11]
1.10(9)	1.101	Naphthalene, 1-methoxy-4-nitro-	203	T	[14]
		(C11H9NO3)
1.26(9)	1.258	4-Cyanobenzophenone (C14H9NO)	207	T	[6]
1.19(9)	1.201	2,6-diMe-4-CO2Me-nitrobenzene	209	T	[5, 6]
		(C10H11NO4)
2.63(3)	2.628	1,3,5-Trinitrobenzene (C6H3N3O6)	213	M	[22]

		TABLES OF EVALUATED ELECTRON AFFINITIES				375
TABLE A5.2		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
1.77(10)	1.765	Naphthalene, 1,5-dinitro- (C10H6N2O4)	218	T		[16]
1.78(8)	1.782	Naphthalene, 1,3-dinitro- (C10H6N2O4)	218	T		[16]
1.15(9)	1.153	N-Phenylphthalic acid imide (C14H9NO2)	223	T		[15]
1.43(10)	1.431	Anthracene, 9-nitro- (C14H9NO2)	223	T		[16]
1.28(9)	1.284	3-Nitrobenzophenone (C13H9NO3)	227	T		[6]
1.57(9)	1.570	4-Nitrobenzophenone (C13H9NO3)	227	T		[6]

TABLE A5.3 CHONX Molecules by Value (in eV)

EVAL	NIST	Name/Formula	MW	Mtd.	Reference
0.87(9)	0.867	2,6-diMe-4-F-nitrobenzene (C8H8FNO2)	169	T	[5, 6]
0.98(9)	1.005	2,6-diMe-4-Cl-nitrobenzene (C8H8ClNO2)	185.5	T	[5, 6]
1.01(5) 1.010		4-Fluoro-2-methyl-nitrobenzene-	155	T	[7]
		(C7H6FNO2)
1.09(5)	1.075	2-Fluoro-nitro-benzene (C6H4FNO2)	141	T, E	[7, 10]
1.10(5)	1.119	4-Fluoro-nitro-benzene (C6H4FNO2)	141	T, E	[6–8, 10]
1.13(5)	1.162	2-Chloro-nitrobenzene- (C6H4ClNO2)	157.5	T, E	[6–8, 10]
1.16(10)	1.162	2-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.22(5)	1.236	3-Fluoro-nitro-benzene (C6H4FNO2)	141	T	[6–8]
1.24(4) 1.258 4-Chloro-nitrobenzene- (C6H4ClNO2)			157.5	T	[6–8]
1.27(5)	1.280	3-Chloro-nitrobenzene- (C6H4ClNO2)	157.5	T	[6–8]
1.29(10)	1.292	4-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.29(10)	1.318	3-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.29(5)	1.292	1,2-Dichloro-nitrobenzene- (C6H3Cl2NO2)	192	T	[7]
1.33(10)	1.331	2-CF3-nitrobenzene (C7H4F3NO2)	191	T	[8]
1.41(5)	1.414	3-CF3-nitrobenzene (C7H4F3NO2)	191	T	[6–8]
1.44(5) 1.444 3,4-Dichloro-nitrobenzene- (C6H3Cl2NO2)			192	T	[7]
1.49(9)	1.500	4-CF3-nitrobenzene (C7H4F3NO2)	191	T	[8]
1.5(1)	1.453	Pentafluoronitrobenzene- (C6F5NO2)	213	T, E	[23]
1.53(8)	1.500	3,5-Dichloronitrobenzene (C6H3Cl2NO2)	192	T	[5, 6]
1.79(10)	1.787	3,5-Bis(CF3)nitrobenzene (C8H3F6NO2)	259	T	[7]
1.99(7)	1.987	3,5-Dinitrobenzotrifluoride	236	T	[24]
		(C7H3F3N2O4)
2.0(1)	2.000	Trifluoronitrosomethane (CF3NO)	99	Misc.	[25]

TABLE A5.4 CHONX Molecules by Molecular Weight (in eV)

EVAL	NIST		Name/Formula	MW	Mtd.	Reference
2.0(1)	2.000		Trifluoronitrosomethane (CF3NO)	99	Misc.	[25]
1.09(5)	1.075		2-Fluoro-nitro-benzene (C6H4FNO2)	141	T, E	[7, 10]
1.10(5)	1.119		4-Fluoro-nitro-benzene (C6H4FNO2)	141	T, E	[6–8, 10]
1.22(5)	1.236		3-Fluoro-nitro-benzene (C6H4FNO2)	141	T	[6–8]
1.01(5)	1.010	4-Fluoro-2-methyl-nitrobenzene-		155	T	[7]
			(C7H6FNO2)

376	APPENDIX IV
TABLE A5.4		(Continued)
EVAL	NIST	Name/Formula	MW	Mtd.	Reference
1.13(5)	1.162	2-Chloro-nitrobenzene- (C6H4ClNO2)	157.5	T, E	[6–8, 10]
1.24(4)	1.258	4-Chloro-nitrobenzene- (C6H4ClNO2)	157.5	T	[6–8]
1.27(5)	1.280	3-Chloro-nitrobenzene- (C6H4ClNO2)	157.5	T	[6–8]
0.87(9)	0.867	2,6-diMe-4-F-nitrobenzene (C8H8FNO2)	169	T	[5, 6]
0.98(9)	1.005	2,6-diMe-4-Cl-nitrobenzene (C8H8ClNO2)	185.5	T	[5, 6]
1.33(10)	1.331	2-CF3-nitrobenzene (C7H4F3NO2)	191	T	[8]
1.41(5)	1.414	3-CF3-nitrobenzene (C7H4F3NO2)	191	T	[6–8]
1.49(9)	1.500	4-CF3-nitrobenzene (C7H4F3NO2)	191	T	[8]
1.29(5)	1.292	1,2-Dichloro-nitrobenzene- (C6H3Cl2NO2)	192	T	[7]
1.44(5)	1.444	3,4-Dichloro-nitrobenzene- (C6H3Cl2NO2)	192	T	[7]
1.53(8)	1.500	3,5-Dichloronitrobenzene (C6H3Cl2NO2)\	192	T	[5, 6]
1.16(10)	1.162	2-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.29(10)	1.292	4-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.29(10)	1.318	3-Bromo-nitrobenzene- (C6H4BrNO2)	202	T	[8]
1.5(1)	1.453	Pentafluoronitrobenzene- (C6F5NO2)	213	T, E	[23]
1.99(7)	1.987	3,5-Dinitrobenzotrifluoride (C7H3F3N2O4)	236	T	[24]
1.79(10)	1.787	3,5-Bis(CF3)nitrobenzene (C8H3F6NO2)	259	T	[7]

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