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N-[2-Isopropoxy-5-(trifluoromethyl)phenyl]-2-furamide
CC(C)Oc1ccc(cc1NC(=O)c2ccco2)C(F)(F)F
InChI=1S/C15H14F3NO3/c1-9(2)22-12-6-5-10(15(16,17)18)8-11(12)19-14(20)13-4-3-7-21-13/h3-9H,1-2H3,(H,19,20)
MYCHFGRMPJZONA-UHFFFAOYSA-N
CSID:2263977, http://www.chemspider.com/Chemical-Structure.2263977.html (accessed 01:10, Jul 7, 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) = 3.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 401.62 (Adapted Stein & Brown method) Melting Pt (deg C): 160.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.11E-007 (Modified Grain method) Subcooled liquid VP: 7.59E-006 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): 18.58 log Kow used: 3.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.8288 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.900E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.21 (KowWin est) Log Kaw used: -7.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.557 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4200 Biowin2 (Non-Linear Model) : 0.1025 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8816 (months ) Biowin4 (Primary Survey Model) : 3.4039 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1536 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4514 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): 0.00101 Pa (7.59E-006 mm Hg) Log Koa (Koawin est ): 10.557 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00296 Octanol/air (Koa) model: 0.00885 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0967 Mackay model : 0.192 Octanol/air (Koa) model: 0.415 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.3491 E-12 cm3/molecule-sec Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.500 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.144 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2911 Log Koc: 3.464 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 = 1.773 (BCF = 59.23) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 1.1E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.421E+005 hours (3.925E+004 days) Half-Life from Model Lake : 1.028E+007 hours (4.282E+005 days) Removal In Wastewater Treatment: Total removal: 7.93 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.79 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 0.00589 5 1000 Water 10.1 1.44e+003 1000 Soil 89.5 2.88e+003 1000 Sediment 0.421 1.3e+004 0 Persistence Time: 2.67e+003 hr
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