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- Double-bond stereo
(E)-1-(4-Bromophenyl)-2-(4-methylphenyl)diazene
Cc1ccc(cc1)/N=N/c2ccc(cc2)Br
InChI=1S/C13H11BrN2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(14)5-9-13/h2-9H,1H3/b16-15+
LGWTZWOYTWCEOL-FOCLMDBBSA-N
CSID:490147, http://www.chemspider.com/Chemical-Structure.490147.html (accessed 04:04, Jul 8, 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) = 5.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.88 (Adapted Stein & Brown method) Melting Pt (deg C): 93.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.22E-005 (Modified Grain method) Subcooled liquid VP: 0.000195 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): 0.1154 log Kow used: 5.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.48926 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.47E-006 atm-m3/mole Group Method: 6.89E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.324E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.55 (KowWin est) Log Kaw used: -3.578 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.128 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3191 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0799 (months ) Biowin4 (Primary Survey Model) : 3.1759 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1217 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2991 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): 0.026 Pa (0.000195 mm Hg) Log Koa (Koawin est ): 9.128 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000115 Octanol/air (Koa) model: 0.00033 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00415 Mackay model : 0.00915 Octanol/air (Koa) model: 0.0257 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.6396 E-12 cm3/molecule-sec Half-Life = 4.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 48.626 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00665 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5126 Log Koc: 3.710 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 = 1.000 (BCF = 10) log Kow used: 5.55 (estimated) Volatilization from Water: Henry LC: 6.89E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 142.6 hours (5.944 days) Half-Life from Model Lake : 1695 hours (70.63 days) Removal In Wastewater Treatment: Total removal: 88.88 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.11 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.618 97.2 1000 Water 5.06 1.44e+003 1000 Soil 46.7 2.88e+003 1000 Sediment 47.6 1.3e+004 0 Persistence Time: 3.05e+003 hr
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