Try beta.chemspider
- Double-bond stereo
(4E)-N-[(2,4-Dichlorobenzyl)oxy]-6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-imine
c1cc(c(cc1Cl)Cl)CO/N=C/2\CCCc3c2non3
InChI=1S/C13H11Cl2N3O2/c14-9-5-4-8(10(15)6-9)7-19-16-11-2-1-3-12-13(11)18-20-17-12/h4-6H,1-3,7H2/b16-11+
OGOZHRMMRWIEMP-LFIBNONCSA-N
CSID:4794040, http://www.chemspider.com/Chemical-Structure.4794040.html (accessed 16:37, Apr 27, 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) = 4.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 390.00 (Adapted Stein & Brown method) Melting Pt (deg C): 159.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.13E-007 (Modified Grain method) Subcooled liquid VP: 1.45E-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): 1.507 log Kow used: 4.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.5969 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.53E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.671E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.50 (KowWin est) Log Kaw used: -5.204 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.704 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2888 Biowin2 (Non-Linear Model) : 0.0076 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0213 (months ) Biowin4 (Primary Survey Model) : 2.9982 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2515 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6239 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): 0.00193 Pa (1.45E-005 mm Hg) Log Koa (Koawin est ): 9.704 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00155 Octanol/air (Koa) model: 0.00124 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0531 Mackay model : 0.11 Octanol/air (Koa) model: 0.0904 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.3186 E-12 cm3/molecule-sec Half-Life = 1.148 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.774 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0818 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.853E+004 Log Koc: 4.836 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 = 2.762 (BCF = 578.2) log Kow used: 4.50 (estimated) Volatilization from Water: Henry LC: 1.53E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6763 hours (281.8 days) Half-Life from Model Lake : 7.392E+004 hours (3080 days) Removal In Wastewater Treatment: Total removal: 56.03 percent Total biodegradation: 0.52 percent Total sludge adsorption: 55.51 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 0.277 27.6 1000 Water 9.96 1.44e+003 1000 Soil 79.9 2.88e+003 1000 Sediment 9.83 1.3e+004 0 Persistence Time: 2.25e+003 hr
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