Try beta.chemspider
N'-[(4-Morpholinylcarbonyl)oxy]-3-(trifluoromethyl)benzenecarboximidamide
c1cc(cc(c1)C(F)(F)F)C(=NOC(=O)N2CCOCC2)N
InChI=1S/C13H14F3N3O3/c14-13(15,16)10-3-1-2-9(8-10)11(17)18-22-12(20)19-4-6-21-7-5-19/h1-3,8H,4-7H2,(H2,17,18)
QBBJDKZHDXSZLT-UHFFFAOYSA-N
CSID:2028222, http://www.chemspider.com/Chemical-Structure.2028222.html (accessed 07:42, 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) = 0.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.92 (Adapted Stein & Brown method) Melting Pt (deg C): 131.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.43E-006 (Modified Grain method) Subcooled liquid VP: 5.22E-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): 1501 log Kow used: 0.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2672.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.55E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.232E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.95 (KowWin est) Log Kaw used: -11.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.148 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2713 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9764 (months ) Biowin4 (Primary Survey Model) : 3.1059 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0664 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2829 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): 0.00696 Pa (5.22E-005 mm Hg) Log Koa (Koawin est ): 12.148 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000431 Octanol/air (Koa) model: 0.345 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0153 Mackay model : 0.0333 Octanol/air (Koa) model: 0.965 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.7007 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.015 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0243 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 383.4 Log Koc: 2.584 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.639E-013 L/mol-sec Kb Half-Life at pH 8: 1.340E+011 years Kb Half-Life at pH 7: 1.340E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.95 (estimated) Volatilization from Water: Henry LC: 1.55E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.728E+009 hours (2.803E+008 days) Half-Life from Model Lake : 7.34E+010 hours (3.058E+009 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 1.69e-006 4.03 1000 Water 43.8 1.44e+003 1000 Soil 56.1 2.88e+003 1000 Sediment 0.0928 1.3e+004 0 Persistence Time: 1.28e+003 hr
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