Try beta.chemspider
2-(4-Bromophenyl)ethanimidamide
c1cc(ccc1CC(=N)N)Br
InChI=1S/C8H9BrN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
UZAORPZGWBQCRV-UHFFFAOYSA-N
CSID:4199772, http://www.chemspider.com/Chemical-Structure.4199772.html (accessed 01:19, Jul 7, 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) = 0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.90 (Adapted Stein & Brown method) Melting Pt (deg C): 85.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000485 (Modified Grain method) Subcooled liquid VP: 0.00186 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): 3.195e+004 log Kow used: 0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 923.01 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.71E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.256E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.08 (KowWin est) Log Kaw used: -6.401 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.481 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5904 Biowin2 (Non-Linear Model) : 0.2464 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5174 (weeks-months) Biowin4 (Primary Survey Model) : 3.3183 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2222 Biowin6 (MITI Non-Linear Model): 0.1458 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3326 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): 0.248 Pa (0.00186 mm Hg) Log Koa (Koawin est ): 6.481 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E-005 Octanol/air (Koa) model: 7.43E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000437 Mackay model : 0.000967 Octanol/air (Koa) model: 5.94E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.6442 E-12 cm3/molecule-sec Half-Life = 0.452 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.428 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000702 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1796 Log Koc: 3.254 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: 0.08 (estimated) Volatilization from Water: Henry LC: 9.71E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.802E+004 hours (3667 days) Half-Life from Model Lake : 9.603E+005 hours (4.001E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.117 10.9 1000 Water 46.8 900 1000 Soil 53 1.8e+003 1000 Sediment 0.0908 8.1e+003 0 Persistence Time: 894 hr
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