1,1-Bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine
CC(C)(C)COC(N(C)C)OCC(C)(C)C
InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
KEXFRBIOHPDZQM-UHFFFAOYSA-N
CSID:70980, http://www.chemspider.com/Chemical-Structure.70980.html (accessed 19:29, 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) = 3.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 233.22 (Adapted Stein & Brown method) Melting Pt (deg C): 26.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0611 (Modified Grain method) Subcooled liquid VP: 0.0626 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): 570.8 log Kow used: 3.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11325 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.83E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.259E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.19 (KowWin est) Log Kaw used: -3.705 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.895 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6304 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9915 (months ) Biowin4 (Primary Survey Model) : 2.8995 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1286 Biowin6 (MITI Non-Linear Model): 0.0294 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1722 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): 8.35 Pa (0.0626 mm Hg) Log Koa (Koawin est ): 6.895 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.59E-007 Octanol/air (Koa) model: 1.93E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.3E-005 Mackay model : 2.88E-005 Octanol/air (Koa) model: 0.000154 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 149.5826 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.858 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.09E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.22 Log Koc: 1.450 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 = 1.759 (BCF = 57.43) log Kow used: 3.19 (estimated) Volatilization from Water: Henry LC: 4.83E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 185.9 hours (7.747 days) Half-Life from Model Lake : 2156 hours (89.83 days) Removal In Wastewater Treatment: Total removal: 7.92 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.52 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0556 1.72 1000 Water 15.2 1.44e+003 1000 Soil 84.1 2.88e+003 1000 Sediment 0.603 1.3e+004 0 Persistence Time: 1.52e+003 hr
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