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1 hit(s) found in 0.18 seconds Search term: TYEDCFVCFDKSBK-UHFFFAOYAI Found by InChIKey (full match)
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1,1'-biphenyl, 2,3,3',4,4',5,6-heptachloro-
2,3,3',4,4',5,6-Heptachloro-1,1'-biphenyl
2,3,3',4,4',5,6-PCB
41411-64-7
[RN]
2,3,3',4,4',5,6-Heptachlorobiphenyl
biphenyl, 2,3,3',4,4',5,6-heptachloro-
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Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 8.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 415.60 (Adapted Stein & Brown method)
Melting Pt (deg C): 163.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.3E-007 (Modified Grain method)
Subcooled liquid VP: 3.46E-006 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): 0.0002842
log Kow used: 8.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00036674 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.07E-005 atm-m3/mole
Group Method: 1.38E-004 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.379E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.27 (KowWin est)
Log Kaw used: -2.683 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.953
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.7176
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.8793 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.1200 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.3961
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.2661
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): 0.000461 Pa (3.46E-006 mm Hg)
Log Koa (Koawin est ): 10.953
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0065
Octanol/air (Koa) model: 0.022
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.19
Mackay model : 0.342
Octanol/air (Koa) model: 0.638
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.1243 E-12 cm3/molecule-sec
Half-Life = 86.055 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.266 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2.111E+005
Log Koc: 5.324
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 = 3.692 (BCF = 4922)
log Kow used: 8.27 (estimated)
Volatilization from Water:
Henry LC: 0.000138 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 10.46 hours
Half-Life from Model Lake : 280.9 hours (11.7 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 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 0.154 2.07e+003 1000
Water 0.679 4.32e+003 1000
Soil 45.3 8.64e+003 1000
Sediment 53.9 3.89e+004 0
Persistence Time: 1.24e+004 hr
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