Try beta.chemspider
2-Chloro-N'-(2,5-dichlorophenyl)benzenecarboximidamide
c1ccc(c(c1)/C(=N/c2cc(ccc2Cl)Cl)/N)Cl
InChI=1S/C13H9Cl3N2/c14-8-5-6-11(16)12(7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H,(H2,17,18)
SOVGEKZCLDQCKK-UHFFFAOYSA-N
CSID:3795873, http://www.chemspider.com/Chemical-Structure.3795873.html (accessed 01:39, Jul 4, 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) = 5.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.73 (Adapted Stein & Brown method) Melting Pt (deg C): 134.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.71E-006 (Modified Grain method) Subcooled liquid VP: 2.18E-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): 3.522 log Kow used: 5.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 25.14 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.12E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.914E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.33 (KowWin est) Log Kaw used: -6.774 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.104 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0577 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9173 (months ) Biowin4 (Primary Survey Model) : 2.9195 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1031 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0387 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): 0.00291 Pa (2.18E-005 mm Hg) Log Koa (Koawin est ): 12.104 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00103 Octanol/air (Koa) model: 0.312 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0359 Mackay model : 0.0763 Octanol/air (Koa) model: 0.961 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.0848 E-12 cm3/molecule-sec Half-Life = 0.463 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.560 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0561 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.145E+005 Log Koc: 5.059 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 = 3.405 (BCF = 2540) log Kow used: 5.33 (estimated) Volatilization from Water: Henry LC: 4.12E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.46E+005 hours (1.025E+004 days) Half-Life from Model Lake : 2.683E+006 hours (1.118E+005 days) Removal In Wastewater Treatment: Total removal: 85.72 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.99 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 0.0135 11.1 1000 Water 4.91 1.44e+003 1000 Soil 65 2.88e+003 1000 Sediment 30.1 1.3e+004 0 Persistence Time: 3.83e+003 hr
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