Table 1 Hansen solubility parameters and molar volumes from group contribution method in comparison to molar volumes obtained from the COSMO calculations.

From: Investigation of COSMO-SAC model for solubility and cocrystal formation of pharmaceutical compounds

Substance	\(\delta_{t} ({\text{MPa}}^{0.5} )\)	\(\delta_{d} ({\text{MPa}}^{0.5} )\)	\(\delta_{p} ({\text{MPa}}^{0.5} )\)	\(\delta_{h} ({\text{MPa}}^{0.5} )\)	V(cm³/mol) Flory–Huggins	V(cm³/mol) COSMO
1-Propanol	24.5	16	6.8	17.4	75.2	52.64
2-Propanol	23.5	15.8	6.1	16.4	76.8	52.64
Acetic Acid	21.4	14.5	8	13.5	57.1	43.38
Acetone	20	15.5	10.4	7	74.0	49.92
Acetonitrile	24.4	15.3	18	6.1	52.6	38.41
Ethanol	26.5	15.8	8.8	19.4	58.5	40.33
Ethyl Acetate	18.1	15.8	5.3	7.2	98.5	68.14
Heptane	15.3	15.3	0	0	147.4	94.24
Hexane	14.9	14.9	0	0	131.6	82.11
Methanol	29.6	15.1	12.3	22.3	40.7	29.09
Methyl Acetate	18.7	15.5	7.2	7.6	79.7	56.13
Octanol	21	17	3.3	11.9	157.7	112.43
Water	47.8	15.6	16	42.3	18.0	15.24
2-Phenylacetamide	27.89	22.54	16.38	1.2	53.63	98.25
4-Methylphthalic anhydride	32.45	27.18	17.7	1.02	66.0	103.50
Aceclofenac	28.02	26.64	8.65	0.79	121.83	213.03
Acetaminophen	28.24	23.37	15.75	1.85	60.07	104.32
Acetylsalicylic acid	29.06	27.45	9.46	1.15	70.63	116.83
Atenolol	21.38	20.23	6.88	0.81	161.3	190.11
Atropine	27.78	26.84	7.11	1.03	103.07	195.58
Benzamide	35.25	25.7	24.05	1.76	36.53	86.76
Camphor	20.59	19.29	7.21	0.29	106.7	111.53
Capecitabine	24.65	22.83	9.26	0.83	205.94	225.47
Cefixime	30.18	27.82	11.67	0.86	190.56	264.81
Cephalexin	33.22	29.67	14.91	0.99	111.46	219.59
Cimetidine	27.39	22.85	15.1	0.61	162.3	176.03
Deferiprone	22.59	19.64	11.09	1.25	83.97	95.13
Flurbiprofen	24.56	23.03	8.49	0.86	82.33	164.03
Hydroquinone	43.64	31.25	29.89	5.87	23.84	75.95
Isoniazid	44.85	27.74	35.19	1.89	45.53	93.62
Lamotrigine	40.17	29.09	27.67	1.23	90.26	147.47
Meclofenamic acid	25.08	23.52	8.69	0.78	106.43	177.91
Pentoxifylline	23.76	21.49	10.14	0.4	187.2	184.38
Pindolol	23.46	21.41	9.55	0.92	129.37	177.38
Pnitrobenzamide	36.71	26.8	25.05	1.28	55.33	104.25
Vinpocetine	32.28	31.84	5.28	0.43	108.8	235.71
Benzocaine	27.88	26.5	8.64	0.91	77.33	115.91
Borneol	19.15	18.54	4.68	0.93	106.67	115.13
Carvedilol	25.27	24.45	6.32	0.9	146.27	274.61
Ibuprofen	18.35	18.09	3.07	0.5	140.43	154.87
Isoborneol	20.06	19.48	4.72	0.94	105.67	114.97
Salicylic acid	30.52	25.83	16	2.94	41.2	90.21

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Table 1 Hansen solubility parameters and molar volumes from group contribution method in comparison to molar volumes obtained from the COSMO calculations.

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