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Tetrabenzylgermane
c1ccc(cc1)C[Ge](Cc2ccccc2)(Cc3ccccc3)Cc4ccccc4
InChI=1S/C28H28Ge/c1-5-13-25(14-6-1)21-29(22-26-15-7-2-8-16-26,23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
XSDZEMMTVGICSM-UHFFFAOYSA-N
CSID:3407469, http://www.chemspider.com/Chemical-Structure.3407469.html (accessed 05:33, 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) = 10.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 526.35 (Adapted Stein & Brown method) Melting Pt (deg C): 215.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.42E-011 (Modified Grain method) Subcooled liquid VP: 5.88E-009 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): 3.937e-006 log Kow used: 10.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.3227e-006 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]: 7.918E-006 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) : 1.0518 Biowin2 (Non-Linear Model) : 0.9820 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3212 (weeks-months) Biowin4 (Primary Survey Model) : 3.2366 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6468 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2291 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): 7.84E-007 Pa (5.88E-009 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.7403 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.262 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.714E+008 Log Koc: 8.234 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 = 0.509 (BCF = 3.229) log Kow used: 10.14 (estimated) Volatilization from Water: Henry LC: 7.92E-006 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 156.7 hours (6.53 days) Half-Life from Model Lake : 1885 hours (78.54 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0531 4.52 1000 Water 1.84 900 1000 Soil 30.3 1.8e+003 1000 Sediment 67.8 8.1e+003 0 Persistence Time: 3.25e+003 hr
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