Try beta.chemspider
Pentamethylbenzyl [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
Cc1c(c(c(c(c1C)C)COC(=O)Nc2c(onc2c3c(cccc3Cl)Cl)C)C)C
InChI=1S/C23H24Cl2N2O3/c1-11-12(2)14(4)17(15(5)13(11)3)10-29-23(28)26-21-16(6)30-27-22(21)20-18(24)8-7-9-19(20)25/h7-9H,10H2,1-6H3,(H,26,28)
HIDROZSTQFXTJI-UHFFFAOYSA-N
CSID:2083014, http://www.chemspider.com/Chemical-Structure.2083014.html (accessed 07:11, May 11, 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) = 8.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 532.23 (Adapted Stein & Brown method) Melting Pt (deg C): 227.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.78E-011 (Modified Grain method) Subcooled liquid VP: 4.16E-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): 0.0002201 log Kow used: 8.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00011478 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.41E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.435E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.02 (KowWin est) Log Kaw used: -10.239 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.259 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5773 Biowin2 (Non-Linear Model) : 0.0520 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3015 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6541 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4322 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4927 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): 5.55E-007 Pa (4.16E-009 mm Hg) Log Koa (Koawin est ): 18.259 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.41 Octanol/air (Koa) model: 4.46E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 78.6011 E-12 cm3/molecule-sec Half-Life = 0.136 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.633 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.158E+006 Log Koc: 6.334 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.712E-002 L/mol-sec Kb Half-Life at pH 8: 216.114 days Kb Half-Life at pH 7: 5.917 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.416 (BCF = 2604) log Kow used: 8.02 (estimated) Volatilization from Water: Henry LC: 1.41E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.783E+008 hours (3.659E+007 days) Half-Life from Model Lake : 9.581E+009 hours (3.992E+008 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.000399 3.27 1000 Water 0.597 4.32e+003 1000 Soil 52.3 8.64e+003 1000 Sediment 47.1 3.89e+004 0 Persistence Time: 1.48e+004 hr
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