Table 2. COSMOtherm-Estimated α-Pinene-Derived Dimer Saturation Mass Concentration (C* in μg m^–3) in Ideal (γ = 1) Solution, Henry’s Law Solubility in Water (H_sol in mol m^–3 Pa^–1), and Gas-to-Organic (K_org/G), Gas-to-Aqueous (K_w/G), and Aqueous-to-WIOM (K_WIOM/w) Partitioning Coefficients at 298.15 K^a.

	C*	Hsol	Korg/G	Kw/G	KWIOM/w	# H-bonds
α-pinene-1	1.48 × 10–5	1.33 × 1014	6.76 × 1016	3.29 × 1017	1.42	0/4
α-pinene-2R	6.87 × 10–6	1.39 × 1014	1.46 × 1017	3.45 × 1017	1.96	0/4
α-pinene-2S	3.06 × 10–6	2.15 × 1014	3.27 × 1017	5.33 × 1017	2.63	0/4
α-pinene-3	1.65 × 10–6	2.15 × 1014	6.05 × 1017	5.33 × 1017	5.25	1/5
α-pinene-4	1.78 × 10–7	1.41 × 1015	5.61 × 1018	3.49 × 1018	7.00	1/5
α-pinene-5	1.79 × 10–5	1.35 × 1014	5.58 × 1016	3.34 × 1017	2.66	0/3
α-pinene-6	1.93 × 10–6	9.22 × 1014	5.19 × 1017	2.29 × 1018	6.32 × 10–1	0/4
α-pinene-7	9.24 × 10–7	1.35 × 1015	1.08 × 1018	3.35 × 1018	7.77 × 10–1	0/4
α-pinene-8	3.71 × 10–9	5.20 × 1016	2.70 × 1020	1.29 × 1020	5.83	0/5
α-pinene-9R,R	5.97 × 10–10	8.73 × 1019	1.67 × 1021	2.17 × 1023	2.76 × 10–2	0/6
α-pinene-9S,R	7.49 × 10–10	2.63 × 1019	1.34 × 1021	6.52 × 1022	5.45 × 10–2	0/6
α-pinene-9S,S	3.23 × 10–9	9.43 × 1017	3.09 × 1020	2.34 × 1021	5.70 × 10–1	1/6
α-pinene-10R	1.75 × 10–7	2.56 × 1016	5.72 × 1018	6.36 × 1019	4.87 × 10–1	0/5
α-pinene-10S	7.13 × 10–8	6.72 × 1016	1.40 × 1019	1.67 × 1020	3.83 × 10–1	0/5
α-pinene-11	1.18 × 10–6	2.94 × 1014	8.46 × 1017	7.29 × 1017	8.33	0/4

^aNumber of intramolecular H-bonds in the conformers used in the COSMOtherm calculation and the total number of H-bond donors are given in the # H-bonds column (intramolecular H-bonds/H-bond donors).