Try beta.chemspider
4-Chloro-2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidine
Clc1cc(Cl)c(cc1)c2nc(C)c(C)c(Cl)n2
InChI=1S/C12H9Cl3N2/c1-6-7(2)16-12(17-11(6)15)9-4-3-8(13)5-10(9)14/h3-5H,1-2H3
FBLMVZOGOQNRHC-UHFFFAOYSA-N
CSID:10694566, http://www.chemspider.com/Chemical-Structure.10694566.html (accessed 16:18, 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) = 3.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.89 (Adapted Stein & Brown method) Melting Pt (deg C): 144.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.08E-006 (Modified Grain method) Subcooled liquid VP: 3.36E-005 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): 7.83 log Kow used: 3.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5711 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.01E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.005E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.83 (KowWin est) Log Kaw used: -3.543 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.373 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1727 Biowin2 (Non-Linear Model) : 0.0026 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7942 (months ) Biowin4 (Primary Survey Model) : 2.7998 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0173 Biowin6 (MITI Non-Linear Model): 0.0042 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4006 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): 0.00448 Pa (3.36E-005 mm Hg) Log Koa (Koawin est ): 7.373 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00067 Octanol/air (Koa) model: 5.79E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0236 Mackay model : 0.0508 Octanol/air (Koa) model: 0.000463 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3514 E-12 cm3/molecule-sec Half-Life = 7.915 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 94.976 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0372 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8031 Log Koc: 3.905 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 = 2.246 (BCF = 176.2) log Kow used: 3.83 (estimated) Volatilization from Water: Henry LC: 7.01E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 143.4 hours (5.974 days) Half-Life from Model Lake : 1706 hours (71.09 days) Removal In Wastewater Treatment: Total removal: 23.21 percent Total biodegradation: 0.26 percent Total sludge adsorption: 22.65 percent Total to Air: 0.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.3 190 1000 Water 12.9 1.44e+003 1000 Soil 83.3 2.88e+003 1000 Sediment 2.53 1.3e+004 0 Persistence Time: 1.75e+003 hr
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