Try beta.chemspider
2-(4,5-Dihydro-1H-imidazol-2-yl)-1,4-diisopropylpiperazine
CC(C)N1CCN(C(C1)C2=NCCN2)C(C)C
InChI=1S/C13H26N4/c1-10(2)16-7-8-17(11(3)4)12(9-16)13-14-5-6-15-13/h10-12H,5-9H2,1-4H3,(H,14,15)
UBLHYKNVKKEDSV-UHFFFAOYSA-N
CSID:8035248, http://www.chemspider.com/Chemical-Structure.8035248.html (accessed 10:49, Jul 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) = 1.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 396.87 (Adapted Stein & Brown method) Melting Pt (deg C): 152.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.98E-007 (Modified Grain method) Subcooled liquid VP: 9.9E-006 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): 2755 log Kow used: 1.17 (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 : 2.87E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.670E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.17 (KowWin est) Log Kaw used: -10.931 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.101 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2235 Biowin2 (Non-Linear Model) : 0.0080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1628 (months ) Biowin4 (Primary Survey Model) : 2.9278 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1553 Biowin6 (MITI Non-Linear Model): 0.0060 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5242 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): 0.00132 Pa (9.9E-006 mm Hg) Log Koa (Koawin est ): 12.101 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00227 Octanol/air (Koa) model: 0.31 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0759 Mackay model : 0.154 Octanol/air (Koa) model: 0.961 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 298.6740 E-12 cm3/molecule-sec Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.784 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.115 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8563 Log Koc: 3.933 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 = 0.200 (BCF = 1.584) log Kow used: 1.17 (estimated) Volatilization from Water: Henry LC: 2.87E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.15E+009 hours (1.312E+008 days) Half-Life from Model Lake : 3.436E+010 hours (1.432E+009 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 3.22e-006 0.859 1000 Water 40.9 1.44e+003 1000 Soil 59 2.88e+003 1000 Sediment 0.0913 1.3e+004 0 Persistence Time: 1.34e+003 hr
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