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N-(4-Bromo-2-ethylphenyl)acetamide
CCc1cc(ccc1NC(=O)C)Br
InChI=1S/C10H12BrNO/c1-3-8-6-9(11)4-5-10(8)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)
OMNWZCYGIXXMPS-UHFFFAOYSA-N
CSID:2016919, http://www.chemspider.com/Chemical-Structure.2016919.html (accessed 05:41, Jun 1, 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) = 2.46 Log Kow (Exper. database match) = 2.27 Exper. Ref: Nakagawa,Y et al. (1992) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.84 (Adapted Stein & Brown method) Melting Pt (deg C): 128.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.2E-006 (Modified Grain method) Subcooled liquid VP: 7.7E-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): 301.2 log Kow used: 2.27 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 196.05 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.60E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.615E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.27 (exp database) Log Kaw used: -6.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7868 Biowin2 (Non-Linear Model) : 0.7615 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3991 (weeks-months) Biowin4 (Primary Survey Model) : 3.4818 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2550 Biowin6 (MITI Non-Linear Model): 0.1417 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2990 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): 0.0103 Pa (7.7E-005 mm Hg) Log Koa (Koawin est ): 9.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000292 Octanol/air (Koa) model: 0.00031 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0104 Mackay model : 0.0228 Octanol/air (Koa) model: 0.0242 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5390 E-12 cm3/molecule-sec Half-Life = 1.931 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.172 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0166 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 197.2 Log Koc: 2.295 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 = 1.048 (BCF = 11.17) log Kow used: 2.27 (expkow database) Volatilization from Water: Henry LC: 3.6E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.531E+005 hours (1.054E+004 days) Half-Life from Model Lake : 2.761E+006 hours (1.15E+005 days) Removal In Wastewater Treatment: Total removal: 2.59 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.49 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 0.0313 46.3 1000 Water 18.9 900 1000 Soil 81 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 1.53e+003 hr
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