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- Double-bond stereo
N-Hydroxy-N-{4-[(E)-2-phenylvinyl]phenyl}acetamide
CC(=O)N(c1ccc(cc1)/C=C/c2ccccc2)O
InChI=1S/C16H15NO2/c1-13(18)17(19)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12,19H,1H3/b8-7+
RWXNJPBIVZZSQA-BQYQJAHWSA-N
CSID:4792537, http://www.chemspider.com/Chemical-Structure.4792537.html (accessed 02:50, Apr 25, 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) = 2.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 428.35 (Adapted Stein & Brown method) Melting Pt (deg C): 160.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.1E-009 (Modified Grain method) Subcooled liquid VP: 2.69E-008 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): 80.61 log Kow used: 2.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 105.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.65E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.548E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (KowWin est) Log Kaw used: -9.965 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.835 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7550 Biowin2 (Non-Linear Model) : 0.7705 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6614 (weeks-months) Biowin4 (Primary Survey Model) : 3.4872 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0453 Biowin6 (MITI Non-Linear Model): 0.0259 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0312 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): 3.59E-006 Pa (2.69E-008 mm Hg) Log Koa (Koawin est ): 12.835 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.836 Octanol/air (Koa) model: 1.68 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.968 Mackay model : 0.985 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.0086 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 77.6086 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.833 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.654 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 12.599999 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.183 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.091 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.977 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8096 Log Koc: 3.908 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 = 1.508 (BCF = 32.23) log Kow used: 2.87 (estimated) Volatilization from Water: Henry LC: 2.65E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.516E+008 hours (1.465E+007 days) Half-Life from Model Lake : 3.836E+009 hours (1.598E+008 days) Removal In Wastewater Treatment: Total removal: 4.73 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.61 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 0.000782 1.37 1000 Water 13.5 900 1000 Soil 86.3 1.8e+003 1000 Sediment 0.231 8.1e+003 0 Persistence Time: 1.74e+003 hr
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