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3-Chloro-4-biphenylcarbaldehyde
c1ccc(cc1)c2ccc(c(c2)Cl)C=O
InChI=1S/C13H9ClO/c14-13-8-11(6-7-12(13)9-15)10-4-2-1-3-5-10/h1-9H
VGRMQYYLRHRMPS-UHFFFAOYSA-N
CSID:15484080, http://www.chemspider.com/Chemical-Structure.15484080.html (accessed 09:54, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
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) = 4.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.38 (Adapted Stein & Brown method) Melting Pt (deg C): 100.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.33E-005 (Modified Grain method) Subcooled liquid VP: 0.000179 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): 10.89 log Kow used: 4.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.03 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.64E-007 atm-m3/mole Group Method: 1.90E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.718E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.12 (KowWin est) Log Kaw used: -4.505 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.625 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8747 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5581 (weeks-months) Biowin4 (Primary Survey Model) : 3.5713 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5509 Biowin6 (MITI Non-Linear Model): 0.4394 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0111 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): 0.0239 Pa (0.000179 mm Hg) Log Koa (Koawin est ): 8.625 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000126 Octanol/air (Koa) model: 0.000104 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00452 Mackay model : 0.00996 Octanol/air (Koa) model: 0.00821 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.1584 E-12 cm3/molecule-sec Half-Life = 0.531 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.367 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00724 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2040 Log Koc: 3.310 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 = 2.471 (BCF = 296.1) log Kow used: 4.12 (estimated) Volatilization from Water: Henry LC: 1.9E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 455.1 hours (18.96 days) Half-Life from Model Lake : 5088 hours (212 days) Removal In Wastewater Treatment: Total removal: 35.88 percent Total biodegradation: 0.37 percent Total sludge adsorption: 35.45 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.45 12.7 1000 Water 16.5 900 1000 Soil 77.9 1.8e+003 1000 Sediment 5.14 8.1e+003 0 Persistence Time: 1.13e+003 hr
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