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- Double-bond stereo
(1E)-N-(4-Phenyl-1-piperazinyl)-1-(3-pyridinyl)ethanimine
n1cccc(c1)\C(=N\N3CCN(c2ccccc2)CC3)C
InChI=1S/C17H20N4/c1-15(16-6-5-9-18-14-16)19-21-12-10-20(11-13-21)17-7-3-2-4-8-17/h2-9,14H,10-13H2,1H3/b19-15+
UVDFCHRNUHTMFH-XDJHFCHBSA-N
CSID:5312745, http://www.chemspider.com/Chemical-Structure.5312745.html (accessed 01:13, Jun 1, 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) = 3.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 394.99 (Adapted Stein & Brown method) Melting Pt (deg C): 147.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.2E-007 (Modified Grain method) Subcooled liquid VP: 1.1E-005 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): 24.13 log Kow used: 3.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11555 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.25E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.479E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.30 (KowWin est) Log Kaw used: -9.760 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.060 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3823 Biowin2 (Non-Linear Model) : 0.0459 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1326 (months ) Biowin4 (Primary Survey Model) : 3.1414 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0870 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7980 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): 0.00147 Pa (1.1E-005 mm Hg) Log Koa (Koawin est ): 13.060 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00205 Octanol/air (Koa) model: 2.82 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0688 Mackay model : 0.141 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 190.2733 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.675 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.105 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.925E+004 Log Koc: 4.840 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 = 1.843 (BCF = 69.61) log Kow used: 3.30 (estimated) Volatilization from Water: Henry LC: 4.25E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.307E+008 hours (9.611E+006 days) Half-Life from Model Lake : 2.516E+009 hours (1.049E+008 days) Removal In Wastewater Treatment: Total removal: 9.22 percent Total biodegradation: 0.15 percent Total sludge adsorption: 9.07 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 2.27e-005 1.35 1000 Water 9.64 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 0.502 1.3e+004 0 Persistence Time: 2.78e+003 hr
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