3,3'-Dichloro-4,4'-dimethylbiphenyl
Clc2cc(c1ccc(c(Cl)c1)C)ccc2C CopyCopied
InChI=1S/C14H12Cl2/c1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-8H,1-2H3 CopyCopied
UEUCSNHCINRLEQ-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
3,3'-dichloro-4,4'-dimethyl-1,1'-biphenyl
Maybridge1_005129 [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) = 6.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.32 (Adapted Stein & Brown method) Melting Pt (deg C): 104.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.86E-005 (Modified Grain method) Subcooled liquid VP: 0.00017 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): 0.1329 log Kow used: 6.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.059718 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.77E-004 atm-m3/mole Group Method: 3.54E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.112E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.14 (KowWin est) Log Kaw used: -1.946 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.086 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3725 Biowin2 (Non-Linear Model) : 0.0312 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0812 (months ) Biowin4 (Primary Survey Model) : 3.0176 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1095 Biowin6 (MITI Non-Linear Model): 0.0213 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2846 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): 0.0227 Pa (0.00017 mm Hg) Log Koa (Koawin est ): 8.086 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000132 Octanol/air (Koa) model: 2.99E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00476 Mackay model : 0.0105 Octanol/air (Koa) model: 0.00239 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5764 E-12 cm3/molecule-sec Half-Life = 2.337 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.047 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00762 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.482E+004 Log Koc: 4.651 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 = 4.028 (BCF = 1.067e+004) log Kow used: 6.14 (estimated) Volatilization from Water: Henry LC: 0.000354 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.238 hours Half-Life from Model Lake : 179.1 hours (7.463 days) Removal In Wastewater Treatment: Total removal: 92.71 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.71 percent Total to Air: 0.23 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.501 56.1 1000 Water 2.42 1.44e+003 1000 Soil 39.9 2.88e+003 1000 Sediment 57.2 1.3e+004 0 Persistence Time: 3.5e+003 hr
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