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- Double-bond stereo
(Z)-1-[4-(2-Methyl-2-propanyl)phenyl]-N-(4-phenyl-1-piperazinyl)methanimine
CC(C)(C)c1ccc(cc1)/C=N\N2CCN(CC2)c3ccccc3
InChI=1S/C21H27N3/c1-21(2,3)19-11-9-18(10-12-19)17-22-24-15-13-23(14-16-24)20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3/b22-17-
VFWIMEJAOSXMCX-XLNRJJMWSA-N
CSID:4607462, http://www.chemspider.com/Chemical-Structure.4607462.html (accessed 08:33, May 13, 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) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.93 (Adapted Stein & Brown method) Melting Pt (deg C): 158.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-007 (Modified Grain method) Subcooled liquid VP: 3.4E-006 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): 0.3063 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1181 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.31E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.030E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -6.588 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.828 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3334 Biowin2 (Non-Linear Model) : 0.0241 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0439 (months ) Biowin4 (Primary Survey Model) : 2.9474 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1171 Biowin6 (MITI Non-Linear Model): 0.0078 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8994 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): 0.000453 Pa (3.4E-006 mm Hg) Log Koa (Koawin est ): 11.828 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00662 Octanol/air (Koa) model: 0.165 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.193 Mackay model : 0.346 Octanol/air (Koa) model: 0.93 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 197.2823 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.651 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.27 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.989E+005 Log Koc: 5.476 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 = 3.336 (BCF = 2169) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 6.31E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.664E+005 hours (6932 days) Half-Life from Model Lake : 1.815E+006 hours (7.563E+004 days) Removal In Wastewater Treatment: Total removal: 83.98 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.26 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 0.0132 1.3 1000 Water 6.27 1.44e+003 1000 Soil 61.8 2.88e+003 1000 Sediment 31.9 1.3e+004 0 Persistence Time: 2.97e+003 hr
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