Try beta.chemspider
2-(Difluoromethyl)naphthalene
c1ccc2cc(ccc2c1)C(F)F
InChI=1S/C11H8F2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
ZVBIWWNNFYJULG-UHFFFAOYSA-N
CSID:13750186, http://www.chemspider.com/Chemical-Structure.13750186.html (accessed 06:29, Jun 13, 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) = 3.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 242.40 (Adapted Stein & Brown method) Melting Pt (deg C): 13.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0408 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 54.96 log Kow used: 3.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8379 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.30E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.740E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.52 (KowWin est) Log Kaw used: -1.027 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.547 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6627 Biowin2 (Non-Linear Model) : 0.6174 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8054 (weeks ) Biowin4 (Primary Survey Model) : 3.5907 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2646 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2012 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): 5.24 Pa (0.0393 mm Hg) Log Koa (Koawin est ): 4.547 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.73E-007 Octanol/air (Koa) model: 8.65E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.07E-005 Mackay model : 4.58E-005 Octanol/air (Koa) model: 6.92E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.2940 E-12 cm3/molecule-sec Half-Life = 0.480 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.757 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.32E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9074 Log Koc: 3.958 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 = 2.014 (BCF = 103.2) log Kow used: 3.52 (estimated) Volatilization from Water: Henry LC: 0.0023 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.702 hours Half-Life from Model Lake : 130.5 hours (5.437 days) Removal In Wastewater Treatment: Total removal: 53.19 percent Total biodegradation: 0.12 percent Total sludge adsorption: 10.44 percent Total to Air: 42.63 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 11.5 1000 Water 19 360 1000 Soil 77.8 720 1000 Sediment 0.877 3.24e+003 0 Persistence Time: 341 hr
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