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4,4''-Diiodo-1,1':3',1''-terphenyl
Ic1ccc(cc1)c2cc(ccc2)c3ccc(I)cc3
InChI=1S/C18H12I2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12H
TZVQQABYRLPEAR-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 7.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.86 (Adapted Stein & Brown method) Melting Pt (deg C): 184.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.82E-009 (Modified Grain method) Subcooled liquid VP: 8.34E-008 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): 0.0001824 log Kow used: 7.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.0553e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.71E-006 atm-m3/mole Group Method: 3.38E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.330E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.86 (KowWin est) Log Kaw used: -4.155 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.015 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9992 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0439 (months ) Biowin4 (Primary Survey Model) : 2.8980 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -1.3916 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3091 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): 1.11E-005 Pa (8.34E-008 mm Hg) Log Koa (Koawin est ): 12.015 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.27 Octanol/air (Koa) model: 0.254 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.907 Mackay model : 0.956 Octanol/air (Koa) model: 0.953 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.4323 E-12 cm3/molecule-sec Half-Life = 1.969 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.627 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.931 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.193E+005 Log Koc: 5.792 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 = 4.258 (BCF = 1.812e+004) log Kow used: 7.86 (estimated) Volatilization from Water: Henry LC: 3.38E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 382.6 hours (15.94 days) Half-Life from Model Lake : 4358 hours (181.6 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.115 47.3 1000 Water 1.27 1.44e+003 1000 Soil 37.2 2.88e+003 1000 Sediment 61.4 1.3e+004 0 Persistence Time: 5.5e+003 hr
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