Table 2. The Previously Determined Theoretical Rate Constants (k_c, 10^–9 cm³ s^–1) and Experimental Rate Constants (k, 10^–9 cm³ s^–1) for the Reactions of Each of the Nine Analyte Species Investigated in This Work with the H₃O⁺, NO⁺, and O₂^+• Reagent Ion Species^a.

compound	mass/gmol–1	IE/eV	PA/kJ mol–1	polarizability, α Å3 (× 10–24cm3)	carrier gas	H3O+ k, [kc]	NO+ k, [kc]	O2+• k, [kc]	reference
1-propanol	60	10.2	787	6.7	He	2.7, [2.7]	2.3, [2.3]	2.2, [2.2]	Španěl et al22
2-propanol	60	10.2	793	7.6	He	2.7, [2.7]	2.4, [2.3]	2.3, [2.3]	Španěl et al22
2,3-butanedione	86	9.3	802	8.2	He	1.7, [1.7]	1.3, [1.4]	1.4, [1.4]	Španěl et al23
					He	1.7, [1.7]	1.7, [1.4]	1.6, [1.4]	Smith et al27
acetaldehyde	44	10.2	769	4.6	He	3.7, [3.7]	0.6, [3.2]	2.3, [3.1]	Španěl et al23
					He		0.93		Smith et al25
acetic acid	60	10.7	784	5.1	He	2.6, [2.6]	0.9, [2.2]	2.3, [2.2]	Španěl et al24
acetone	58	9.7	812	6.3	He	3.9, [3.9]	1.2, [3.3]	2.7, [3.3]	Španěl et al23
ethyl acetate	88	10.0	836	9.7	He	2.9, [2.9]	2.1, [2.4]	2.0, [2.4]	Španěl et al24
ethanol	46	10.5	776	5.1	He	2.7, [2.7]	1.2, [2.3]	2.3, [2.3]	Španěl et al22
R-limonene	136	8.3	836	17.6	He	2.5, [2.5]	2.2, [2.1]	2.2, [2.0]	Španěl et al12
R-limonene	136	8.3	836	17.6	N2	2.5, [2.5]	2.0, [2.1]	2.0, [2.0]	Španěl et al12

^aThe majority of this work was carried out using Profile 3 with He carrier gas. The molecular parameters for each analyte are also shown, for which the data have been taken from the NIST Chemistry Webbook.³²