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2-Methyl-2-propanyl methyl(2-pyrimidinyl)carbamate
CC(C)(C)OC(=O)N(C)C1=NC=CC=N1
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13(4)8-11-6-5-7-12-8/h5-7H,1-4H3
PHDSFONPKUGYNT-UHFFFAOYSA-N
CSID:9162710, http://www.chemspider.com/Chemical-Structure.9162710.html (accessed 23:36, Jul 8, 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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.70 (Adapted Stein & Brown method) Melting Pt (deg C): 83.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00129 (Modified Grain method) Subcooled liquid VP: 0.00462 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): 208.4 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 653.62 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.01E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.704E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: -4.085 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.745 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5435 Biowin2 (Non-Linear Model) : 0.3371 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4779 (weeks-months) Biowin4 (Primary Survey Model) : 3.5860 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1401 Biowin6 (MITI Non-Linear Model): 0.0946 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1027 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): 0.616 Pa (0.00462 mm Hg) Log Koa (Koawin est ): 6.745 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.87E-006 Octanol/air (Koa) model: 1.36E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000176 Mackay model : 0.000389 Octanol/air (Koa) model: 0.000109 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.9865 E-12 cm3/molecule-sec Half-Life = 3.581 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 42.978 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000283 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 25.18 Log Koc: 1.401 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.737E-018 L/mol-sec Kb Half-Life at pH 8: 1.264E+016 years Kb Half-Life at pH 7: 1.264E+017 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.351 (BCF = 22.43) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 2.01E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 422.8 hours (17.62 days) Half-Life from Model Lake : 4734 hours (197.3 days) Removal In Wastewater Treatment: Total removal: 3.75 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.53 percent Total to Air: 0.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.7 85.9 1000 Water 21 900 1000 Soil 77.1 1.8e+003 1000 Sediment 0.233 8.1e+003 0 Persistence Time: 1.02e+003 hr
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