Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans

Table 5

Input parameters and experimental data on log 𝐶𝐿_𝑖𝑛𝑡 for VOCs of QPPR evaluation.

Chemical	Input parameters			Log 𝐶𝑙aintPL (LPL/h/kg)	Ref 𝑉max, 𝐾𝑚
	log 𝑃ow	log 𝑃bw	IP (eV)
Bromoform	1.79	0.896	10.837	1.006	[46]
Dibromochloromethane	1.70	1.025	10.702	1.108	[46]
Dichloroethylene (trans-1,2-)	1.98	0.484	9.512	0.438	[55]
Ethylene	1.27	0.776	10.638	1.208	[59]
Furan	1.36	0.441	9.375	1.773	[56]
Halothane	2.26	0.977	11.039	1.104	[58]
Propylene	1.68	0.995	10.103	1.118	[54]
Tetrachloroethylene	2.97	1.404	9.217	−1.804	[57]
Trichloroethane (1,1,1-)	2.68	0.823	10.751	−2.467	[48]
Trimethylbenzene (1,2,4-)	3.63	1.829	9.084	−0.132	[61]
Xylene (o-)	3.09	1.213	9.304	0.163	[60]

^a Experimental data (references in Section 2).