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1H-Cyclopenta[a]naphthalene
c3ccc2c1c(\C=C/C1)ccc2c3
InChI=1S/C13H10/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,8-9H,7H2
KXYGKDBONOVZOM-UHFFFAOYSA-N
CSID:9919708, http://www.chemspider.com/Chemical-Structure.9919708.html (accessed 18:54, May 16, 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.95 (Adapted Stein & Brown method) Melting Pt (deg C): 63.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00131 (Modified Grain method) Subcooled liquid VP: 0.00299 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): 10.61 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7174 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.700E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -2.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.628 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7231 Biowin2 (Non-Linear Model) : 0.7730 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7570 (weeks ) Biowin4 (Primary Survey Model) : 3.5394 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2236 Biowin6 (MITI Non-Linear Model): 0.1652 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0053 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6646 BioHC Half-Life (days) : 46.1907 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.399 Pa (0.00299 mm Hg) Log Koa (Koawin est ): 6.628 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.53E-006 Octanol/air (Koa) model: 1.04E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000272 Mackay model : 0.000602 Octanol/air (Koa) model: 8.34E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.3310 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.390 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 0.000437 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.129E+004 Log Koc: 4.053 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 = 2.709 (BCF = 511.7) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 0.000155 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.186 hours Half-Life from Model Lake : 175.6 hours (7.316 days) Removal In Wastewater Treatment: Total removal: 54.53 percent Total biodegradation: 0.48 percent Total sludge adsorption: 50.76 percent Total to Air: 3.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.15 1.17 1000 Water 18.4 360 1000 Soil 75.4 720 1000 Sediment 6.04 3.24e+003 0 Persistence Time: 458 hr
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