2-Methyl-2-propanyl (6,6-dimethoxy-3-oxo-1,4-cyclohexadien-1-yl)carbamate
O=C/1/C=C\C(OC)(OC)C(\NC(=O)OC(C)(C)C)=C\1
InChI=1S/C13H19NO5/c1-12(2,3)19-11(16)14-10-8-9(15)6-7-13(10,17-4)18-5/h6-8H,1-5H3,(H,14,16)
FYZDQTBBNXGNLN-UHFFFAOYSA-N
CSID:9261943, http://www.chemspider.com/Chemical-Structure.9261943.html (accessed 22:40, Apr 19, 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) = 1.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.40 (Adapted Stein & Brown method) Melting Pt (deg C): 121.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.67E-005 (Modified Grain method) Subcooled liquid VP: 0.000152 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): 2152 log Kow used: 1.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Vinyl/Allyl Ketones Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.45E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.750E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.09 (KowWin est) Log Kaw used: -11.740 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.830 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3569 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0933 (months ) Biowin4 (Primary Survey Model) : 3.3043 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1440 Biowin6 (MITI Non-Linear Model): 0.0381 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3572 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): 0.0203 Pa (0.000152 mm Hg) Log Koa (Koawin est ): 12.830 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000148 Octanol/air (Koa) model: 1.66 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00532 Mackay model : 0.0117 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.3900 E-12 cm3/molecule-sec Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.732 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec Half-Life = 3.274 Days (at 7E11 mol/cm3) Half-Life = 78.583 Hrs Fraction sorbed to airborne particulates (phi): 0.00851 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.066E-005 L/mol-sec Kb Half-Life at pH 8: 433.503 years Kb Half-Life at pH 7: 4335.029 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.141 (BCF = 1.384) log Kow used: 1.09 (estimated) Volatilization from Water: Henry LC: 4.45E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.159E+010 hours (8.996E+008 days) Half-Life from Model Lake : 2.355E+011 hours (9.814E+009 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 4.66e-007 6.82 1000 Water 42.1 1.44e+003 1000 Soil 57.9 2.88e+003 1000 Sediment 0.0919 1.3e+004 0 Persistence Time: 1.31e+003 hr
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