Try beta.chemspider
1,1'-(1,2-Ethanediyl)bis(2-bromobenzene)
c1ccc(c(c1)CCc2ccccc2Br)Br
InChI=1S/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
CVGGCYQDKJYOCA-UHFFFAOYSA-N
CSID:88139, http://www.chemspider.com/Chemical-Structure.88139.html (accessed 08:37, Apr 29, 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) = 6.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.26 (Adapted Stein & Brown method) Melting Pt (deg C): 119.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-005 (Modified Grain method) Subcooled liquid VP: 9.9E-005 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): 0.01925 log Kow used: 6.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.053423 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-004 atm-m3/mole Group Method: 3.22E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.650E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.52 (KowWin est) Log Kaw used: -2.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.904 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4743 Biowin2 (Non-Linear Model) : 0.0176 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0260 (months ) Biowin4 (Primary Survey Model) : 2.9130 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0116 Biowin6 (MITI Non-Linear Model): 0.0272 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1709 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): 0.0132 Pa (9.9E-005 mm Hg) Log Koa (Koawin est ): 8.904 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000227 Octanol/air (Koa) model: 0.000197 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00814 Mackay model : 0.0179 Octanol/air (Koa) model: 0.0155 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.2885 E-12 cm3/molecule-sec Half-Life = 2.023 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.270 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.013 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.693E+004 Log Koc: 4.755 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 = 4.320 (BCF = 2.088e+004) log Kow used: 6.52 (estimated) Volatilization from Water: Henry LC: 3.22E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 35.41 hours (1.475 days) Half-Life from Model Lake : 540.9 hours (22.54 days) Removal In Wastewater Treatment: Total removal: 93.46 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.68 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 0.313 48.6 1000 Water 1.92 1.44e+003 1000 Soil 32.3 2.88e+003 1000 Sediment 65.4 1.3e+004 0 Persistence Time: 4.34e+003 hr
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