Try beta.chemspider
- Double-bond stereo
(3,4-Dichlorophenyl){[(Z)-(1,2,5-trimethyl-4-piperidinylidene)amino]oxy}methanone
CC1C/C(=N/OC(=O)c2ccc(c(c2)Cl)Cl)/C(CN1C)C
InChI=1S/C15H18Cl2N2O2/c1-9-8-19(3)10(2)6-14(9)18-21-15(20)11-4-5-12(16)13(17)7-11/h4-5,7,9-10H,6,8H2,1-3H3/b18-14-
PMCBESAVNONELO-JXAWBTAJSA-N
CSID:20183746, http://www.chemspider.com/Chemical-Structure.20183746.html (accessed 00:38, 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) = 4.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 384.63 (Adapted Stein & Brown method) Melting Pt (deg C): 140.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35E-006 (Modified Grain method) Subcooled liquid VP: 1.96E-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): 1.787 log Kow used: 4.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.3555 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.82E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.273E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.29 (KowWin est) Log Kaw used: -5.938 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.228 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0207 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8036 (months ) Biowin4 (Primary Survey Model) : 2.7541 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2496 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7294 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): 0.00261 Pa (1.96E-005 mm Hg) Log Koa (Koawin est ): 10.228 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00115 Octanol/air (Koa) model: 0.00415 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0398 Mackay model : 0.0841 Octanol/air (Koa) model: 0.249 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.1882 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.220 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.062 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.014E+004 Log Koc: 4.304 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.926E+000 L/mol-sec Kb Half-Life at pH 8: 2.043 days Kb Half-Life at pH 7: 20.431 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.604 (BCF = 401.9) log Kow used: 4.29 (estimated) Volatilization from Water: Henry LC: 2.82E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.767E+004 hours (1570 days) Half-Life from Model Lake : 4.111E+005 hours (1.713E+004 days) Removal In Wastewater Treatment: Total removal: 44.73 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.29 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 0.0433 2.44 1000 Water 11.1 1.44e+003 1000 Soil 82.1 2.88e+003 1000 Sediment 6.71 1.3e+004 0 Persistence Time: 2.02e+003 hr
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