Try beta.chemspider
3',5-Bis(bromomethyl)-1,2-dihydro-2'H-spiro[benzo[f]chromene-3,1'-naphthalen]-2'-one
BrCC\5=C\c1ccccc1C3(Oc2c(cc4c(c2CC3)cccc4)CBr)C/5=O
InChI=1S/C24H18Br2O2/c25-13-17-11-15-5-1-3-7-19(15)20-9-10-24(28-22(17)20)21-8-4-2-6-16(21)12-18(14-26)23(24)27/h1-8,11-12H,9-10,13-14H2
AESVFKWJWHIHES-UHFFFAOYSA-N
CSID:9060835, http://www.chemspider.com/Chemical-Structure.9060835.html (accessed 02:17, Jul 6, 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) = 7.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 559.85 (Adapted Stein & Brown method) Melting Pt (deg C): 240.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.79E-012 (Modified Grain method) Subcooled liquid VP: 8.12E-010 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): 0.0002921 log Kow used: 7.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8732e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Vinyl/Allyl Halides Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.90E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.506E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.50 (KowWin est) Log Kaw used: -9.110 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.610 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4275 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7885 (months ) Biowin4 (Primary Survey Model) : 3.0326 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1581 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1494 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): 1.08E-007 Pa (8.12E-010 mm Hg) Log Koa (Koawin est ): 16.610 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 27.7 Octanol/air (Koa) model: 1E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 164.6153 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.780 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.890000 E-17 cm3/molecule-sec Half-Life = 0.606 Days (at 7E11 mol/cm3) Half-Life = 14.552 Hrs Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.009E+006 Log Koc: 6.004 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 = 4.132 (BCF = 1.354e+004) log Kow used: 7.50 (estimated) Volatilization from Water: Henry LC: 1.9E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.878E+007 hours (2.866E+006 days) Half-Life from Model Lake : 7.503E+008 hours (3.126E+007 days) Removal In Wastewater Treatment: Total removal: 93.98 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 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 0.0112 1.41 1000 Water 1.4 1.44e+003 1000 Soil 32.6 2.88e+003 1000 Sediment 66 1.3e+004 0 Persistence Time: 4.9e+003 hr
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