2-Ethoxyethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CCCCOc1ccccc1C2C(=C(NC(=O)N2)C)C(=O)OCCOCC
InChI=1S/C20H28N2O5/c1-4-6-11-26-16-10-8-7-9-15(16)18-17(14(3)21-20(24)22-18)19(23)27-13-12-25-5-2/h7-10,18H,4-6,11-13H2,1-3H3,(H2,21,22,24)
TYROICXAOZKXBE-UHFFFAOYSA-N
CSID:2130285, http://www.chemspider.com/Chemical-Structure.2130285.html (accessed 14:28, Mar 21, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 507.05 (Adapted Stein & Brown method) Melting Pt (deg C): 215.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-010 (Modified Grain method) Subcooled liquid VP: 1.82E-008 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): 9.833 log Kow used: 3.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47.377 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.68E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.463E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.09 (KowWin est) Log Kaw used: -13.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.540 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6355 Biowin2 (Non-Linear Model) : 0.9172 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7390 (weeks-months) Biowin4 (Primary Survey Model) : 3.8700 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4535 Biowin6 (MITI Non-Linear Model): 0.2138 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1796 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): 2.43E-006 Pa (1.82E-008 mm Hg) Log Koa (Koawin est ): 16.540 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.24 Octanol/air (Koa) model: 8.51E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.978 Mackay model : 0.99 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 86.4314 E-12 cm3/molecule-sec Half-Life = 0.124 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.485 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.984 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1552 Log Koc: 3.191 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.257E-003 L/mol-sec Kb Half-Life at pH 8: 5.159 years Kb Half-Life at pH 7: 51.593 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.679 (BCF = 47.74) log Kow used: 3.09 (estimated) Volatilization from Water: Henry LC: 8.68E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.309E+012 hours (5.453E+010 days) Half-Life from Model Lake : 1.428E+013 hours (5.949E+011 days) Removal In Wastewater Treatment: Total removal: 6.53 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.40 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 4.64e-007 1.65 1000 Water 12.5 900 1000 Soil 87.1 1.8e+003 1000 Sediment 0.349 8.1e+003 0 Persistence Time: 1.79e+003 hr
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