2-(1-Piperazinyl)ethanamine
C1CN(CCN1)CCN
InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
IMUDHTPIFIBORV-UHFFFAOYSA-N
CSID:8465, http://www.chemspider.com/Chemical-Structure.8465.html (accessed 05:44, Apr 16, 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) = -1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.04 (Adapted Stein & Brown method) Melting Pt (deg C): 53.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0663 (Modified Grain method) BP (exp database): 220 deg C Subcooled liquid VP: 0.122 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: -1.57 (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 : 6.59E-013 atm-m3/mole Group Method: 1.62E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.127E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.57 (KowWin est) Log Kaw used: -10.570 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.000 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7884 Biowin2 (Non-Linear Model) : 0.7633 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7077 (weeks-months) Biowin4 (Primary Survey Model) : 3.4599 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4872 Biowin6 (MITI Non-Linear Model): 0.3083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3123 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): 16.3 Pa (0.122 mm Hg) Log Koa (Koawin est ): 9.000 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84E-007 Octanol/air (Koa) model: 0.000245 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.66E-006 Mackay model : 1.48E-005 Octanol/air (Koa) model: 0.0193 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 214.1042 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.599 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.07E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 171.7 Log Koc: 2.235 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: -1.57 (estimated) Volatilization from Water: Henry LC: 1.62E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.108E+010 hours (1.712E+009 days) Half-Life from Model Lake : 4.482E+011 hours (1.867E+010 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 2.27e-007 1.2 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 973 hr
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