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[4-(Cyclohexylmethoxy)phenyl](cyclopropyl)methanone
c1cc(ccc1C(=O)C2CC2)OCC3CCCCC3
InChI=1S/C17H22O2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h8-11,13-14H,1-7,12H2
OCDSUWINRBEANT-UHFFFAOYSA-N
CSID:4983018, http://www.chemspider.com/Chemical-Structure.4983018.html (accessed 04:52, Apr 25, 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.99 (Adapted Stein & Brown method) Melting Pt (deg C): 111.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.36E-005 (Modified Grain method) Subcooled liquid VP: 9.51E-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): 0.6185 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3614 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-006 atm-m3/mole Group Method: 3.30E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.475E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: -4.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.661 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7633 Biowin2 (Non-Linear Model) : 0.7568 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5476 (weeks-months) Biowin4 (Primary Survey Model) : 3.5299 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5017 Biowin6 (MITI Non-Linear Model): 0.3846 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4947 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): 0.0127 Pa (9.51E-005 mm Hg) Log Koa (Koawin est ): 9.661 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000237 Octanol/air (Koa) model: 0.00112 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00847 Mackay model : 0.0186 Octanol/air (Koa) model: 0.0825 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.1718 E-12 cm3/molecule-sec Half-Life = 0.242 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.906 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0135 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4917 Log Koc: 3.692 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 = 2.550 (BCF = 354.7) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 3.3E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 286.8 hours (11.95 days) Half-Life from Model Lake : 3264 hours (136 days) Removal In Wastewater Treatment: Total removal: 85.37 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.62 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.154 5.81 1000 Water 8.85 900 1000 Soil 52.1 1.8e+003 1000 Sediment 38.9 8.1e+003 0 Persistence Time: 1.67e+003 hr
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