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Bromo(triphenyl)germane
c1ccc(cc1)[Ge](c2ccccc2)(c3ccccc3)Br
InChI=1S/C18H15BrGe/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
RBXJUAXJPPYIMY-UHFFFAOYSA-N
CSID:121440, http://www.chemspider.com/Chemical-Structure.121440.html (accessed 02:45, Apr 24, 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) = 6.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.65 (Adapted Stein & Brown method) Melting Pt (deg C): 137.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.78E-007 (Modified Grain method) Subcooled liquid VP: 6.41E-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): 0.005882 log Kow used: 6.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.040431 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.104E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9491 Biowin2 (Non-Linear Model) : 0.9505 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4170 (weeks-months) Biowin4 (Primary Survey Model) : 3.3086 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3065 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0592 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): 0.000855 Pa (6.41E-006 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00351 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.113 Mackay model : 0.219 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.8495 E-12 cm3/molecule-sec Half-Life = 1.829 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.942 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.166 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.958E+005 Log Koc: 5.843 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 = 4.544 (BCF = 3.501e+004) log Kow used: 6.81 (estimated) Volatilization from Water: Henry LC: 4.1E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 29.95 hours (1.248 days) Half-Life from Model Lake : 491 hours (20.46 days) Removal In Wastewater Treatment: Total removal: 93.74 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.96 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.363 43.9 1000 Water 2.21 900 1000 Soil 31.3 1.8e+003 1000 Sediment 66.1 8.1e+003 0 Persistence Time: 3.1e+003 hr
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