Try beta.chemspider
3-(2,6-Dimethyl-4-morpholinyl)-1-propanamine
CC1CN(CC(O1)C)CCCN
InChI=1S/C9H20N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3-7,10H2,1-2H3
NIFZHABTMWBHTG-UHFFFAOYSA-N
CSID:8782669, http://www.chemspider.com/Chemical-Structure.8782669.html (accessed 14:25, Jun 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) = -0.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.56 (Adapted Stein & Brown method) Melting Pt (deg C): 54.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0159 (Modified Grain method) Subcooled liquid VP: 0.0302 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): 6.132e+005 log Kow used: -0.00 (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 : 8.00E-011 atm-m3/mole Group Method: 4.35E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.877E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.00 (KowWin est) Log Kaw used: -8.485 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.485 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2667 Biowin2 (Non-Linear Model) : 0.0183 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5794 (weeks-months) Biowin4 (Primary Survey Model) : 3.3447 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3630 Biowin6 (MITI Non-Linear Model): 0.1055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5610 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): 4.03 Pa (0.0302 mm Hg) Log Koa (Koawin est ): 8.485 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.45E-007 Octanol/air (Koa) model: 7.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.69E-005 Mackay model : 5.96E-005 Octanol/air (Koa) model: 0.00596 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 160.5954 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.799 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.33E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.09 Log Koc: 1.904 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: -0.00 (estimated) Volatilization from Water: Henry LC: 4.35E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.767E+008 hours (7.361E+006 days) Half-Life from Model Lake : 1.927E+009 hours (8.03E+007 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 6.04e-005 1.6 1000 Water 45.8 900 1000 Soil 54.1 1.8e+003 1000 Sediment 0.0887 8.1e+003 0 Persistence Time: 981 hr
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