1-(Diphenylmethyl)piperazine
c1ccc(cc1)C(c2ccccc2)N3CCNCC3
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
NWVNXDKZIQLBNM-UHFFFAOYSA-N
CSID:63238, http://www.chemspider.com/Chemical-Structure.63238.html (accessed 16:30, Apr 18, 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) = 2.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.08 (Adapted Stein & Brown method) Melting Pt (deg C): 137.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.6E-006 (Modified Grain method) Subcooled liquid VP: 3.51E-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): 1039 log Kow used: 2.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2889.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.15E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.309E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.75 (KowWin est) Log Kaw used: -8.890 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.640 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8322 Biowin2 (Non-Linear Model) : 0.8711 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4551 (weeks-months) Biowin4 (Primary Survey Model) : 3.2487 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0612 Biowin6 (MITI Non-Linear Model): 0.0301 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0264 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): 0.00468 Pa (3.51E-005 mm Hg) Log Koa (Koawin est ): 11.640 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000641 Octanol/air (Koa) model: 0.107 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0226 Mackay model : 0.0488 Octanol/air (Koa) model: 0.896 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 199.0300 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.645 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0357 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.064E+005 Log Koc: 5.027 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 = 1.421 (BCF = 26.35) log Kow used: 2.75 (estimated) Volatilization from Water: Henry LC: 3.15E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.953E+007 hours (1.23E+006 days) Half-Life from Model Lake : 3.221E+008 hours (1.342E+007 days) Removal In Wastewater Treatment: Total removal: 4.05 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.94 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 0.000255 1.29 1000 Water 14.1 900 1000 Soil 85.7 1.8e+003 1000 Sediment 0.188 8.1e+003 0 Persistence Time: 1.72e+003 hr
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