Table 1. Chemoassay Profiles Covering k₁, k_–1^pseudo, K, and k_follow for the Reaction of 23 Aromatic Aldehydes with Glycine-pNA (Gly-pNA).

			chemoassay profile (Gly-pNA)
compound	no	log Kowa	k1 ± s(k1) [L·mol–1·min–1]	k–1pseudo ± s(k–1) [min–1]	K ± s(K) [L·mol–1]	log K	(kfollowpseudo ± s(kfollow)) × 10–3 [min–1]	log kfollowpseudo
benzaldehyde	A1	1.59	0.499 ± 0.030	0.0210 ± 0.0010	23.8 ± 0.5	1.38	0.254 ± 0.026	–3.60
2-methyl benzaldehyde	A2	2.06	0.339 ± 0.100	0.0439 ± 0.0054	7.63 ± 1.71	0.88	0.975 ± 0.203	–3.01
3-methyl benzaldehyde	A3	2.07	0.486 ± 0.078	0.0325 ± 0.0020	14.9 ± 1.9	1.17	0.289 ± 0.039	–3.54
4-methyl benzaldehyde	A4	2.06	0.150 ± 0.012	0.0347 ± 0.0113	4.64 ± 1.29	0.67	0.845 ± 0.472	–3.07
4-isopropyl benzaldehyde	B1	2.85	0.194 ± 0.058	0.0205 ± 0.0027	9.56 ± 2.88	0.98	0.437 ± 0.178	–3.36
2-hydroxy benzaldehyde	B2	1.42	0.302 ± 0.054	0.0401 ± 0.0038	7.49 ± 0.62	0.87	0.492 ± 0.019	–3.31
3-hydroxy benzaldehyde	B3	1.26	0.627 ± 0.102	0.0219 ± 0.0019	29.0 ± 6.3	1.46	0.393 ± 0.090	–3.41
4-hydroxy benzaldehyde	B4	1.26	0.0273 ± 0.0018	0.0364 ± 0.0111	0.79 ± 0.18	–0.10	2.28 ± 0.41	–2.64
2-methoxy benzaldehyde	C1	1.57	0.416 ± 0.046	0.0261 ± 0.0035	16.0 ± 0.7	1.20	2.39 ± 0.25	–2.62
3-methoxy benzaldehyde	C2	1.58	0.663 ± 0.038	0.0173 ± 0.0020	38.3 ± 2.8	1.58	0.171 ± 0.028	–3.77
4-methoxy benzaldehyde	C3	1.57	0.0356 ± 0.0099	0.0266 ± 0.0054	1.36 ± 0.37	0.13	0.912 ± 0.194	–3.04
3-nitro benzaldehyde	C4	1.22	1.57 ± 0.05	0.00748 ± 0.00034	210 ± 3	2.32	0.288 ± 0.010	–3.54
4-nitro benzaldehyde	D1	1.22	2.85 ± 0.37	0.00863 ± 0.00083	333 ± 61	2.52	0.569 ± 0.044	–3.25
4-chlorobenzaldehyde	D2	2.28	0.683 ± 0.031	0.0141 ± 0.0003	48.5 ± 1.00	1.69	0.275 ± 0.044	–3.56
vanillin	D3	1.23	0.0275 ± 0.0108	0.0395 ± 0.0125	0.69 ± 0.13	–0.16	1.56 ± 0.30	–2.81
ethyl vanillin	D4	1.61	0.0203 ± 0.0019	0.0387 ± 0.0107	0.54 ± 0.09	–0.26	2.30 ± 0.71	–2.64
3,4-dimethoxy benzaldehyde	E1	1.55	0.0224± 0.0075	0.0294 ± 0.0104	0.81 ± 0.21	–0.09	1.16 ± 0.48	–2.79
4-methoxy-3-hydroxy benzaldehyde	E2	1.23	0.0293 ± 0.0080	0.0399 ± 0.0068	0.73 ± 0.12	–0.11	3.21 ± 0.70	–2.49
3-chloro-4-methoxy benzaldehyde	E3	2.25	0.112 ± 0.007	0.0183 ± 0.0028	6.31 ± 1.39	0.80	0.878 ± 0.286	–3.06
2-bromo-5-hydroxy benzaldehyde	E4	2.05	1.76 ± 0.14	0.00616 ± 0.00039	286 ± 17	2.46	0.251 ± 0.030	–3.60
6-methoxy naphthalene carbaldehyde	F1	2.69	0.412 ± 0.089	0.0234 ± 0.0022	17.6 ± 3.2	1.25	0.474 ± 0.141	–3.32
atranol	F2	1.70	0.311 ± 0.033	0.00345 ± 0.00027	90.1 ± 2.4	1.95	n.d.
chloratranol	F3	2.39	0.250 ± 0.020	0.00497 ± 0.00047	50.4 ± 1.2	1.70	0.339 ± 0.057	–3.47

^aInformation on compounds hydrophobicity in terms of the logarithmic octanol/water partition coefficient (log K_ow) was calculated using the latest version of our in-house ChemProp software.⁴⁷