Try beta.chemspider
4-[3-(1-Piperazinyl)propyl]morpholine
C1CN(CCN1)CCCN2CCOCC2
InChI=1S/C11H23N3O/c1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14/h12H,1-11H2
RDJPLMDQJPJCEF-UHFFFAOYSA-N
CSID:2018670, http://www.chemspider.com/Chemical-Structure.2018670.html (accessed 12:29, Aug 7, 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) = -0.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.95 (Adapted Stein & Brown method) Melting Pt (deg C): 113.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000106 (Modified Grain method) Subcooled liquid VP: 0.00079 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): 1e+006 log Kow used: -0.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-014 atm-m3/mole Group Method: 7.22E-017 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.975E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.79 (KowWin est) Log Kaw used: -11.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.138 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0419 Biowin2 (Non-Linear Model) : 0.0011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2339 (months ) Biowin4 (Primary Survey Model) : 2.9975 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2487 Biowin6 (MITI Non-Linear Model): 0.0743 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2757 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): 0.105 Pa (0.00079 mm Hg) Log Koa (Koawin est ): 11.138 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.85E-005 Octanol/air (Koa) model: 0.0337 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00103 Mackay model : 0.00227 Octanol/air (Koa) model: 0.73 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 335.3362 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.965 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00165 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 212.1 Log Koc: 2.327 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 = 0.500 (BCF = 3.162) log Kow used: -0.79 (estimated) Volatilization from Water: Henry LC: 7.22E-017 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.184E+013 hours (4.935E+011 days) Half-Life from Model Lake : 1.292E+014 hours (5.384E+012 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 8.41e-010 0.766 1000 Water 49.4 1.44e+003 1000 Soil 50.5 2.88e+003 1000 Sediment 0.0961 1.3e+004 0 Persistence Time: 1.17e+003 hr
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