Try beta.chemspider
9-Bromo-10-phenylanthracene
c1ccc(cc1)c2c3ccccc3c(c4c2cccc4)Br
InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
WHGGVVHVBFMGSG-UHFFFAOYSA-N
CSID:3367865, http://www.chemspider.com/Chemical-Structure.3367865.html (accessed 11:20, Apr 26, 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) = 7.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.23 (Adapted Stein & Brown method) Melting Pt (deg C): 174.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.25E-009 (Modified Grain method) Subcooled liquid VP: 3.25E-007 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): 0.0006393 log Kow used: 7.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0011479 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-006 atm-m3/mole Group Method: 8.48E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.344E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.00 (KowWin est) Log Kaw used: -4.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.193 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6067 Biowin2 (Non-Linear Model) : 0.1677 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3488 (weeks-months) Biowin4 (Primary Survey Model) : 3.2183 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0056 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1863 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): 4.33E-005 Pa (3.25E-007 mm Hg) Log Koa (Koawin est ): 11.193 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0692 Octanol/air (Koa) model: 0.0383 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.714 Mackay model : 0.847 Octanol/air (Koa) model: 0.754 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.4240 E-12 cm3/molecule-sec Half-Life = 0.499 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.991 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.781 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.356E+006 Log Koc: 6.132 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 = 4.689 (BCF = 4.889e+004) log Kow used: 7.00 (estimated) Volatilization from Water: Henry LC: 8.48E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1262 hours (52.59 days) Half-Life from Model Lake : 1.392E+004 hours (580.1 days) Removal In Wastewater Treatment: Total removal: 93.84 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 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 0.111 12 1000 Water 2.04 900 1000 Soil 32.7 1.8e+003 1000 Sediment 65.2 8.1e+003 0 Persistence Time: 3.27e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight