Try beta.chemspider
3-Chlorobiphenyl
c1ccc(cc1)c2cccc(c2)Cl
InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
NMWSKOLWZZWHPL-UHFFFAOYSA-N
CSID:15488, http://www.chemspider.com/Chemical-Structure.15488.html (accessed 03:05, Apr 27, 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) = 4.40 Log Kow (Exper. database match) = 4.58 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 297.60 (Adapted Stein & Brown method) Melting Pt (deg C): 53.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00443 (Modified Grain method) MP (exp database): 16 deg C BP (exp database): 284.5 deg C VP (exp database): 8.40E-03 mm Hg at 0 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.122 log Kow used: 4.58 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3.63 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.48 mg/L Wat Sol (Exper. database match) = 3.63 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.07E-004 atm-m3/mole Group Method: 3.62E-004 atm-m3/mole Exper Database: 6.13E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.796E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.58 (exp database) Log Kaw used: -1.601 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.181 Log Koa (experimental database): 6.820 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6034 Biowin2 (Non-Linear Model) : 0.5283 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5977 (weeks-months) Biowin4 (Primary Survey Model) : 3.4151 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2310 Biowin6 (MITI Non-Linear Model): 0.1132 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2069 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): 0.591 Pa (0.00443 mm Hg) Log Koa (Exp database): 6.820 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.08E-006 Octanol/air (Koa) model: 1.62E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000183 Mackay model : 0.000406 Octanol/air (Koa) model: 0.00013 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.8786 E-12 cm3/molecule-sec Half-Life = 2.192 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.309 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000295 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.012E+004 Log Koc: 4.005 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 = 2.827 (BCF = 670.8) log Kow used: 4.58 (expkow database) Volatilization from Water: Henry LC: 0.000613 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.713 hours Half-Life from Model Lake : 144.8 hours (6.032 days) Removal In Wastewater Treatment: Total removal: 65.29 percent Total biodegradation: 0.50 percent Total sludge adsorption: 56.47 percent Total to Air: 8.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.96 48.6 1000 Water 8.91 900 1000 Soil 81.1 1.8e+003 1000 Sediment 8.01 8.1e+003 0 Persistence Time: 1.05e+003 hr
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