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2-[(4-Ethylphenoxy)acetyl]-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide
CCc1ccc(cc1)OCC(=O)NNC(=O)Nc2cccc(c2)C(F)(F)F
InChI=1S/C18H18F3N3O3/c1-2-12-6-8-15(9-7-12)27-11-16(25)23-24-17(26)22-14-5-3-4-13(10-14)18(19,20)21/h3-10H,2,11H2,1H3,(H,23,25)(H2,22,24,26)
DPIFMZBGVMOBDV-UHFFFAOYSA-N
CSID:3399888, http://www.chemspider.com/Chemical-Structure.3399888.html (accessed 21:27, Apr 29, 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) = 4.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 536.60 (Adapted Stein & Brown method) Melting Pt (deg C): 229.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.03E-011 (Modified Grain method) Subcooled liquid VP: 3.21E-009 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): 1.484 log Kow used: 4.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1718 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.864E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.02 (KowWin est) Log Kaw used: -13.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.383 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2322 Biowin2 (Non-Linear Model) : 0.0052 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7105 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0317 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4881 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0753 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): 4.28E-007 Pa (3.21E-009 mm Hg) Log Koa (Koawin est ): 17.383 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.01 Octanol/air (Koa) model: 5.93E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.0284 E-12 cm3/molecule-sec Half-Life = 0.281 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.375 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.829E+004 Log Koc: 4.262 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 = 2.392 (BCF = 246.7) log Kow used: 4.02 (estimated) Volatilization from Water: Henry LC: 1.06E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.079E+012 hours (4.494E+010 days) Half-Life from Model Lake : 1.177E+013 hours (4.903E+011 days) Removal In Wastewater Treatment: Total removal: 30.99 percent Total biodegradation: 0.33 percent Total sludge adsorption: 30.66 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 7.47e-007 6.75 1000 Water 4.03 4.32e+003 1000 Soil 94.1 8.64e+003 1000 Sediment 1.82 3.89e+004 0 Persistence Time: 8.13e+003 hr
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