Try beta.chemspider
2-(2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
c1cc2c(cc1CCN)OC(C(O2)(F)F)(F)F
InChI=1S/C10H9F4NO2/c11-9(12)10(13,14)17-8-5-6(3-4-15)1-2-7(8)16-9/h1-2,5H,3-4,15H2
DTQXOHQZLYGOCN-UHFFFAOYSA-N
CSID:15943137, http://www.chemspider.com/Chemical-Structure.15943137.html (accessed 00:18, Apr 28, 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) = 3.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.06 (Adapted Stein & Brown method) Melting Pt (deg C): 78.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00249 (Modified Grain method) Subcooled liquid VP: 0.00806 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): 275.4 log Kow used: 3.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.496 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.988E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.44 (KowWin est) Log Kaw used: -6.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.536 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7324 Biowin2 (Non-Linear Model) : 0.8984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0532 (months ) Biowin4 (Primary Survey Model) : 3.3075 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6117 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3189 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): 1.07 Pa (0.00806 mm Hg) Log Koa (Koawin est ): 9.536 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.79E-006 Octanol/air (Koa) model: 0.000843 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000101 Mackay model : 0.000223 Octanol/air (Koa) model: 0.0632 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.0539 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.211 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000162 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2454 Log Koc: 3.390 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 = 1.947 (BCF = 88.44) log Kow used: 3.44 (estimated) Volatilization from Water: Henry LC: 1.96E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.734E+004 hours (1973 days) Half-Life from Model Lake : 5.166E+005 hours (2.153E+004 days) Removal In Wastewater Treatment: Total removal: 11.74 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.56 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 0.0535 4.42 1000 Water 11.6 1.44e+003 1000 Soil 87.5 2.88e+003 1000 Sediment 0.858 1.3e+004 0 Persistence Time: 2.12e+003 hr
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