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2-Butoxy-N,N-bis(2-butoxyethyl)ethanamine
CCCCOCCN(CCOCCCC)CCOCCCC
InChI=1S/C18H39NO3/c1-4-7-13-20-16-10-19(11-17-21-14-8-5-2)12-18-22-15-9-6-3/h4-18H2,1-3H3
MKIXXGAFSXWETQ-UHFFFAOYSA-N
CSID:11470661, http://www.chemspider.com/Chemical-Structure.11470661.html (accessed 05:31, Apr 29, 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) = 3.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.65 (Adapted Stein & Brown method) Melting Pt (deg C): 107.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.29E-005 (Modified Grain method) Subcooled liquid VP: 8.22E-005 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): 77.57 log Kow used: 3.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 331.13 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.76E-009 atm-m3/mole Group Method: 1.73E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.948E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.64 (KowWin est) Log Kaw used: -7.143 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.783 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3257 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1117 (weeks ) Biowin4 (Primary Survey Model) : 3.8796 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4296 Biowin6 (MITI Non-Linear Model): 0.2140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8126 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): 0.011 Pa (8.22E-005 mm Hg) Log Koa (Koawin est ): 10.783 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000274 Octanol/air (Koa) model: 0.0149 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00979 Mackay model : 0.0214 Octanol/air (Koa) model: 0.544 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 215.2628 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.596 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0156 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 167.9 Log Koc: 2.225 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 = 2.099 (BCF = 125.7) log Kow used: 3.64 (estimated) Volatilization from Water: Henry LC: 1.73E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.03E+007 hours (2.513E+006 days) Half-Life from Model Lake : 6.579E+008 hours (2.741E+007 days) Removal In Wastewater Treatment: Total removal: 16.63 percent Total biodegradation: 0.21 percent Total sludge adsorption: 16.42 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 0.000302 1.19 1000 Water 16 360 1000 Soil 83 720 1000 Sediment 0.949 3.24e+003 0 Persistence Time: 786 hr
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