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5-Methyl-1-(5-methyltetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
Cc1cn(c(=O)[nH]c1=O)C2CCC(O2)C
InChI=1S/C10H14N2O3/c1-6-5-12(10(14)11-9(6)13)8-4-3-7(2)15-8/h5,7-8H,3-4H2,1-2H3,(H,11,13,14)
JIQLAAKADXSVTE-UHFFFAOYSA-N
CSID:147709, http://www.chemspider.com/Chemical-Structure.147709.html (accessed 18:10, Apr 25, 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) = 0.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 450.22 (Adapted Stein & Brown method) Melting Pt (deg C): 189.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.22E-009 (Modified Grain method) Subcooled liquid VP: 4.85E-007 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): 6742 log Kow used: 0.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1920.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.05E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.783E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.89 (KowWin est) Log Kaw used: -9.432 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.322 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3001 Biowin2 (Non-Linear Model) : 0.0321 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7259 (weeks-months) Biowin4 (Primary Survey Model) : 3.5347 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1595 Biowin6 (MITI Non-Linear Model): 0.0333 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1850 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): 6.47E-005 Pa (4.85E-007 mm Hg) Log Koa (Koawin est ): 10.322 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0464 Octanol/air (Koa) model: 0.00515 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.626 Mackay model : 0.788 Octanol/air (Koa) model: 0.292 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.8712 E-12 cm3/molecule-sec Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.837 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.707 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.66 Log Koc: 1.067 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 = 0.500 (BCF = 3.162) log Kow used: 0.89 (estimated) Volatilization from Water: Henry LC: 9.05E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.38E+007 hours (3.908E+006 days) Half-Life from Model Lake : 1.023E+009 hours (4.264E+007 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 0.000393 3.19 1000 Water 41.8 900 1000 Soil 58.1 1.8e+003 1000 Sediment 0.0864 8.1e+003 0 Persistence Time: 1.04e+003 hr
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