2-(4-Amino-1-piperazinyl)ethanol
C1CN(CCN1CCO)N
InChI=1S/C6H15N3O/c7-9-3-1-8(2-4-9)5-6-10/h10H,1-7H2
XAOHWSFGKCJOGT-UHFFFAOYSA-N
CSID:70002, http://www.chemspider.com/Chemical-Structure.70002.html (accessed 21:41, Mar 28, 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) = -2.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 268.44 (Adapted Stein & Brown method) Melting Pt (deg C): 78.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000311 (Modified Grain method) Subcooled liquid VP: 0.001 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: -2.58 (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 Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.79E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.942E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.58 (KowWin est) Log Kaw used: -13.398 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.818 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6319 Biowin2 (Non-Linear Model) : 0.4605 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7835 (weeks ) Biowin4 (Primary Survey Model) : 3.4797 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1612 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5341 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): 0.133 Pa (0.001 mm Hg) Log Koa (Koawin est ): 10.818 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.25E-005 Octanol/air (Koa) model: 0.0161 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000812 Mackay model : 0.0018 Octanol/air (Koa) model: 0.564 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 123.5810 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.039 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0013 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.2 Log Koc: 1.049 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: -2.58 (estimated) Volatilization from Water: Henry LC: 9.79E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.207E+011 hours (3.003E+010 days) Half-Life from Model Lake : 7.862E+012 hours (3.276E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 2.31e-008 2.08 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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