- Double-bond stereo
N-{4-[(2Z)-2-(2-Oxo-1(2H)-naphthalenylidene)hydrazino]phenyl}acetamide
O=C(Nc1ccc(cc1)N/N=C2/c3ccccc3\C=C/C2=O)C
InChI=1S/C18H15N3O2/c1-12(22)19-14-7-9-15(10-8-14)20-21-18-16-5-3-2-4-13(16)6-11-17(18)23/h2-11,20H,1H3,(H,19,22)/b21-18-
OIBVLMPDKRNAIM-UZYVYHOESA-N
CSID:7852219, http://www.chemspider.com/Chemical-Structure.7852219.html (accessed 08:04, Mar 28, 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) = 2.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 513.62 (Adapted Stein & Brown method) Melting Pt (deg C): 218.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-010 (Modified Grain method) Subcooled liquid VP: 1.24E-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): 98.93 log Kow used: 2.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5515 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.78E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.264E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.42 (KowWin est) Log Kaw used: -13.557 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.977 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8192 Biowin2 (Non-Linear Model) : 0.7132 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4477 (weeks-months) Biowin4 (Primary Survey Model) : 3.5904 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1267 Biowin6 (MITI Non-Linear Model): 0.0284 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1137 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): 1.65E-006 Pa (1.24E-008 mm Hg) Log Koa (Koawin est ): 15.977 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.81 Octanol/air (Koa) model: 2.33E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.985 Mackay model : 0.993 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.2158 E-12 cm3/molecule-sec Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.662 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.989 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5082 Log Koc: 3.706 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 = 1.160 (BCF = 14.44) log Kow used: 2.42 (estimated) Volatilization from Water: Henry LC: 6.78E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.509E+012 hours (6.287E+010 days) Half-Life from Model Lake : 1.646E+013 hours (6.859E+011 days) Removal In Wastewater Treatment: Total removal: 2.89 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.79 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 5.97e-007 2.65 1000 Water 16.9 900 1000 Soil 83 1.8e+003 1000 Sediment 0.12 8.1e+003 0 Persistence Time: 1.62e+003 hr
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