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1-[1-(1-Benzofuran-2-yl)ethylidene]-2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CC(=NNc1cc(ccc1Cl)C(F)(F)F)c2cc3ccccc3o2
InChI=1S/C17H12ClF3N2O/c1-10(16-8-11-4-2-3-5-15(11)24-16)22-23-14-9-12(17(19,20)21)6-7-13(14)18/h2-9,23H,1H3
FXCPCHKYXPFDJI-UHFFFAOYSA-N
CSID:3466363, http://www.chemspider.com/Chemical-Structure.3466363.html (accessed 15:21, May 21, 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) = 6.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 402.03 (Adapted Stein & Brown method) Melting Pt (deg C): 148.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.12E-007 (Modified Grain method) Subcooled liquid VP: 7.42E-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): 0.01638 log Kow used: 6.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013346 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.42E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.167E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.51 (KowWin est) Log Kaw used: -4.854 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.364 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1232 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7001 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8991 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2128 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4092 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): 0.000989 Pa (7.42E-006 mm Hg) Log Koa (Koawin est ): 11.364 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00303 Octanol/air (Koa) model: 0.0568 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0987 Mackay model : 0.195 Octanol/air (Koa) model: 0.82 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.2288 E-12 cm3/molecule-sec Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.524 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.147 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.539E+005 Log Koc: 5.877 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 = 4.314 (BCF = 2.061e+004) log Kow used: 6.51 (estimated) Volatilization from Water: Henry LC: 3.42E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3217 hours (134.1 days) Half-Life from Model Lake : 3.525E+004 hours (1469 days) Removal In Wastewater Treatment: Total removal: 93.45 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.67 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 0.0133 3.05 1000 Water 1.03 4.32e+003 1000 Soil 42.7 8.64e+003 1000 Sediment 56.3 3.89e+004 0 Persistence Time: 1.01e+004 hr
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