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- Double-bond stereo
(Z)-1-(4-Methylphenyl)-N-[4-(4-methylphenyl)-1-piperazinyl]methanimine
Cc1ccc(cc1)/C=N\N2CCN(CC2)c3ccc(cc3)C
InChI=1S/C19H23N3/c1-16-3-7-18(8-4-16)15-20-22-13-11-21(12-14-22)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3/b20-15-
QJTCQSKASBGRBR-HKWRFOASSA-N
CSID:4541117, http://www.chemspider.com/Chemical-Structure.4541117.html (accessed 14:00, Apr 26, 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.31 (Adapted Stein & Brown method) Melting Pt (deg C): 150.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.46E-007 (Modified Grain method) Subcooled liquid VP: 6.53E-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): 2.222 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41.189 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.98E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.012E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -6.914 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.344 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5119 Biowin2 (Non-Linear Model) : 0.0974 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1463 (months ) Biowin4 (Primary Survey Model) : 2.9994 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0278 Biowin6 (MITI Non-Linear Model): 0.0180 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1927 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): 0.000871 Pa (6.53E-006 mm Hg) Log Koa (Koawin est ): 11.344 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00345 Octanol/air (Koa) model: 0.0542 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.111 Mackay model : 0.216 Octanol/air (Koa) model: 0.813 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 230.7288 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.556 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.099E+005 Log Koc: 5.041 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 = 2.709 (BCF = 511.5) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 2.98E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.365E+005 hours (1.402E+004 days) Half-Life from Model Lake : 3.672E+006 hours (1.53E+005 days) Removal In Wastewater Treatment: Total removal: 52.30 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.80 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 0.01 1.11 1000 Water 9.3 1.44e+003 1000 Soil 82.9 2.88e+003 1000 Sediment 7.8 1.3e+004 0 Persistence Time: 2.46e+003 hr
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