Try beta.chemspider
2-(2-Isopropyl-5-methylphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
Cc1ccc(c(c1)OCC(=O)NNc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(C)C
InChI=1S/C19H20F3N3O4/c1-11(2)14-6-4-12(3)8-17(14)29-10-18(26)24-23-15-7-5-13(19(20,21)22)9-16(15)25(27)28/h4-9,11,23H,10H2,1-3H3,(H,24,26)
VJUPUIXASRZERX-UHFFFAOYSA-N
CSID:3149556, http://www.chemspider.com/Chemical-Structure.3149556.html (accessed 02:58, May 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.34 (Adapted Stein & Brown method) Melting Pt (deg C): 223.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.64E-011 (Modified Grain method) Subcooled liquid VP: 7.44E-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): 0.02749 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.28144 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.111E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: -10.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.115 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0325 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3997 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8115 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6937 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3588 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): 9.92E-007 Pa (7.44E-009 mm Hg) Log Koa (Koawin est ): 16.115 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.02 Octanol/air (Koa) model: 3.2E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 75.3106 E-12 cm3/molecule-sec Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.704 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.524E+004 Log Koc: 4.931 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 = 3.787 (BCF = 6121) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 1.27E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.35E+008 hours (3.896E+007 days) Half-Life from Model Lake : 1.02E+010 hours (4.25E+008 days) Removal In Wastewater Treatment: Total removal: 91.27 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.51 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 0.000243 3.41 1000 Water 1.42 4.32e+003 1000 Soil 63.4 8.64e+003 1000 Sediment 35.2 3.89e+004 0 Persistence Time: 1.23e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight