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- Double-bond stereo
N'-[(E)-9-Anthrylmethylene]-2-(2-biphenylyloxy)acetohydrazide
c1ccc(cc1)c2ccccc2OCC(=O)N/N=C/c3c4ccccc4cc5c3cccc5
InChI=1S/C29H22N2O2/c32-29(20-33-28-17-9-8-16-26(28)21-10-2-1-3-11-21)31-30-19-27-24-14-6-4-12-22(24)18-23-13-5-7-15-25(23)27/h1-19H,20H2,(H,31,32)/b30-19+
XNCFYKGPUFDUFX-NDZAJKAJSA-N
CSID:5261174, http://www.chemspider.com/Chemical-Structure.5261174.html (accessed 17:56, Jul 3, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 670.57 (Adapted Stein & Brown method) Melting Pt (deg C): 292.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.09E-015 (Modified Grain method) Subcooled liquid VP: 1.02E-012 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): 0.0002767 log Kow used: 6.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00034957 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.41E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.231E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.73 (KowWin est) Log Kaw used: -11.655 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.385 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8026 Biowin2 (Non-Linear Model) : 0.7197 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2117 (months ) Biowin4 (Primary Survey Model) : 3.3086 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1858 Biowin6 (MITI Non-Linear Model): 0.0033 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4264 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): 1.36E-010 Pa (1.02E-012 mm Hg) Log Koa (Koawin est ): 18.385 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.21E+004 Octanol/air (Koa) model: 5.96E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.3615 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.795E+007 Log Koc: 7.832 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 = 4.479 (BCF = 3.012e+004) log Kow used: 6.73 (estimated) Volatilization from Water: Henry LC: 5.41E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.245E+010 hours (9.356E+008 days) Half-Life from Model Lake : 2.45E+011 hours (1.021E+010 days) Removal In Wastewater Treatment: Total removal: 93.68 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.90 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 0.0178 2.05 1000 Water 1.68 1.44e+003 1000 Soil 33.3 2.88e+003 1000 Sediment 65 1.3e+004 0 Persistence Time: 4.65e+003 hr
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