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6b,8a-Dihydrocyclobuta[a]acenaphthylene
c1cc2cccc3c2c(c1)C4C3C=C4
InChI=1S/C14H10/c1-3-9-4-2-6-13-11-8-7-10(11)12(5-1)14(9)13/h1-8,10-11H
MKRSLSRLZZVPKE-UHFFFAOYSA-N
CSID:124917, http://www.chemspider.com/Chemical-Structure.124917.html (accessed 14:47, 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 302.30 (Adapted Stein & Brown method) Melting Pt (deg C): 82.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000487 (Modified Grain method) Subcooled liquid VP: 0.00173 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): 1.758 log Kow used: 3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.34591 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.93E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.497E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -2.103 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.073 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7720 Biowin2 (Non-Linear Model) : 0.8364 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6556 (weeks-months) Biowin4 (Primary Survey Model) : 3.4535 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2241 Biowin6 (MITI Non-Linear Model): 0.2113 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0463 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.8858 BioHC Half-Life (days) : 7688.6240 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.231 Pa (0.00173 mm Hg) Log Koa (Koawin est ): 6.073 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.3E-005 Octanol/air (Koa) model: 2.9E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00047 Mackay model : 0.00104 Octanol/air (Koa) model: 2.32E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.9224 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.079 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 0.000754 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.083E+004 Log Koc: 4.319 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 = 2.361 (BCF = 229.4) log Kow used: 3.97 (estimated) Volatilization from Water: Henry LC: 0.000193 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.412 hours Half-Life from Model Lake : 171 hours (7.125 days) Removal In Wastewater Treatment: Total removal: 33.87 percent Total biodegradation: 0.29 percent Total sludge adsorption: 27.47 percent Total to Air: 6.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0571 0.84 1000 Water 11.8 900 1000 Soil 85.5 1.8e+003 1000 Sediment 2.6 8.1e+003 0 Persistence Time: 982 hr
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