Table 2. Summary of Results from Applying Eq 3.3 to Predict Hydrated Electron Rate Constants for DOM Using Model Compounds.

model compound dataa				scenario 1		scenario 2		scenario 3
compound	formula	k (107 M–1 s–1)	k (107 MC–1 s–1)	αi	αiki	αi	αiki	αi	αiki
phenol	C6H6O	2.00	0.33	0.11	0.037	0.04	0.01	0.08	0.03
2-hydroxybenzoate	C7H6O3	1000	143	0.11	15.873	0.04	5.71	0.08	11.43
benzoate	C7H6O2	300	42.9	0.11	4.762	0.04	1.71	0.08	3.43
benzyl alcohol	C7H8O	20	2.86	0.11	0.317	0.04	0.11	0.16	0.46
benzaldehyde	C7H6O	2400	343	0.11	38.095	0.04	13.71	0.00	0.00
acetone	C3H6O	770	257	0.11	28.519	0.07	18.74	0.02	5.13
methyl acetate	C3H6O2	870	2.9	0.11	0.322	0.24	0.70	0.19	0.56
tert-butanol	C4H10O	0.04	0.01	0.11	0.001	0.24	0.00	0.19	0.00
alanine	C3H7O2N	1.2	0.40	0.11	0.044	0.24	0.10	0.19	0.08
			Σiαi or Σiαiki	1.00	8.8 × 108 MC–1s–1	1.00	4.08 × 108 MC–1s–1	1.00	2.11 × 108 MC–1s–1

^aRate constants obtained from the NDRL/NIST solution kinetics database (kinetics.nist.gov/solution/).⁶⁷