1,2-Diiodo-4-nitrobenzene
Ic1ccc([N+]([O-])=O)cc1I CopyCopied
InChI=1S/C6H3I2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H CopyCopied
FBLUCIWMGHTPJO-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,2-diiodo-4-nitrobenzene
1608-46-4 [RN]
1981-34-6 [RN]
NSC9180 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.93 (Adapted Stein & Brown method) Melting Pt (deg C): 112.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.14E-005 (Modified Grain method) Subcooled liquid VP: 0.000228 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5137 log Kow used: 4.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5503 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.14E-006 atm-m3/mole Group Method: 4.45E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.015E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.15 (KowWin est) Log Kaw used: -4.332 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.482 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2532 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1112 (months ) Biowin4 (Primary Survey Model) : 2.9443 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -1.3342 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3357 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0304 Pa (0.000228 mm Hg) Log Koa (Koawin est ): 8.482 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87E-005 Octanol/air (Koa) model: 7.45E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00355 Mackay model : 0.00783 Octanol/air (Koa) model: 0.00592 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0531 E-12 cm3/molecule-sec Half-Life = 201.531 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00569 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 511 Log Koc: 2.708 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.492 (BCF = 310.3) log Kow used: 4.15 (estimated) Volatilization from Water: Henry LC: 4.45E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 256.7 hours (10.7 days) Half-Life from Model Lake : 2963 hours (123.5 days) Removal In Wastewater Treatment: Total removal: 37.47 percent Total biodegradation: 0.38 percent Total sludge adsorption: 36.94 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.67 4.84e+003 1000 Water 12.5 1.44e+003 1000 Soil 80.4 2.88e+003 1000 Sediment 5.41 1.3e+004 0 Persistence Time: 1.81e+003 hr
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