- Double-bond stereo
(1E)-1-(9-Anthrylmethylene)-2-(3-chloro-4-methylphenyl)hydrazine
Clc4cc(N\N=C\c3c1ccccc1cc2ccccc23)ccc4C
InChI=1S/C22H17ClN2/c1-15-10-11-18(13-22(15)23)25-24-14-21-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)21/h2-14,25H,1H3/b24-14+
QBNAVTOHQPLZDP-ZVHZXABRSA-N
CSID:7944218, http://www.chemspider.com/Chemical-Structure.7944218.html (accessed 18:01, Apr 19, 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) = 6.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 492.83 (Adapted Stein & Brown method) Melting Pt (deg C): 201.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.65E-010 (Modified Grain method) Subcooled liquid VP: 4.17E-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): 0.0008987 log Kow used: 6.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0023667 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.20E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.853E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.74 (KowWin est) Log Kaw used: -6.883 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.623 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4556 Biowin2 (Non-Linear Model) : 0.0347 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1557 (months ) Biowin4 (Primary Survey Model) : 3.1163 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1773 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0500 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): 5.56E-006 Pa (4.17E-008 mm Hg) Log Koa (Koawin est ): 13.623 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.54 Octanol/air (Koa) model: 10.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.951 Mackay model : 0.977 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 133.7604 E-12 cm3/molecule-sec Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.960 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.964 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.209E+006 Log Koc: 6.344 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 = 4.493 (BCF = 3.112e+004) log Kow used: 6.74 (estimated) Volatilization from Water: Henry LC: 3.2E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.398E+005 hours (1.416E+004 days) Half-Life from Model Lake : 3.707E+006 hours (1.544E+005 days) Removal In Wastewater Treatment: Total removal: 93.69 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.91 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 0.0168 1.92 1000 Water 1.68 1.44e+003 1000 Soil 33.2 2.88e+003 1000 Sediment 65.1 1.3e+004 0 Persistence Time: 4.65e+003 hr
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