Try beta.chemspider
N'-[(4-Biphenylyloxy)acetyl]-2,4-dichlorobenzohydrazide
c1ccc(cc1)c2ccc(cc2)OCC(=O)NNC(=O)c3ccc(cc3Cl)Cl
InChI=1S/C21H16Cl2N2O3/c22-16-8-11-18(19(23)12-16)21(27)25-24-20(26)13-28-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,26)(H,25,27)
DOKDLDBDVIASCM-UHFFFAOYSA-N
CSID:1649862, http://www.chemspider.com/Chemical-Structure.1649862.html (accessed 23:09, Jul 6, 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) = 4.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 645.61 (Adapted Stein & Brown method) Melting Pt (deg C): 280.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.99E-015 (Modified Grain method) Subcooled liquid VP: 4.67E-012 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): 0.4618 log Kow used: 4.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2883 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.14E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.271E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.36 (KowWin est) Log Kaw used: -11.600 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.960 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4450 Biowin2 (Non-Linear Model) : 0.0536 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8321 (months ) Biowin4 (Primary Survey Model) : 2.9999 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5407 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6914 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): 6.23E-010 Pa (4.67E-012 mm Hg) Log Koa (Koawin est ): 15.960 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.82E+003 Octanol/air (Koa) model: 2.24E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.9024 E-12 cm3/molecule-sec Half-Life = 0.306 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.677 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.447E+005 Log Koc: 5.160 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 = 2.660 (BCF = 457.2) log Kow used: 4.36 (estimated) Volatilization from Water: Henry LC: 6.14E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.943E+010 hours (8.097E+008 days) Half-Life from Model Lake : 2.12E+011 hours (8.833E+009 days) Removal In Wastewater Treatment: Total removal: 48.51 percent Total biodegradation: 0.46 percent Total sludge adsorption: 48.05 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 0.0565 7.36 1000 Water 9.35 1.44e+003 1000 Soil 83.9 2.88e+003 1000 Sediment 6.65 1.3e+004 0 Persistence Time: 2.47e+003 hr
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