N-(2-Ethoxyethyl)-1-octanamine
O(CCNCCCCCCCC)CC CopyCopied
InChI=1S/C12H27NO/c1-3-5-6-7-8-9-10-13-11-12-14-4-2/h13H,3-12H2,1-2H3 CopyCopied
UUHFDAJMZXGNNV-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(2-ethoxyethyl)octylamine
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.04 (Adapted Stein & Brown method) Melting Pt (deg C): 32.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0144 (Modified Grain method) Subcooled liquid VP: 0.0167 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): 466.3 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 892.79 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-006 atm-m3/mole Group Method: 4.45E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.182E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: -3.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.472 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5666 Biowin2 (Non-Linear Model) : 0.4191 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0683 (weeks ) Biowin4 (Primary Survey Model) : 3.8598 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6428 Biowin6 (MITI Non-Linear Model): 0.6581 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5391 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.23 Pa (0.0167 mm Hg) Log Koa (Koawin est ): 7.472 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-006 Octanol/air (Koa) model: 7.28E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-005 Mackay model : 0.000108 Octanol/air (Koa) model: 0.000582 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.6483 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.022 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.82E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 612.6 Log Koc: 2.787 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 = 1.981 (BCF = 95.72) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 4.45E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1868 hours (77.85 days) Half-Life from Model Lake : 2.05E+004 hours (854.2 days) Removal In Wastewater Treatment: Total removal: 12.61 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.40 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.201 2.04 1000 Water 24.5 360 1000 Soil 74.3 720 1000 Sediment 1.04 3.24e+003 0 Persistence Time: 469 hr
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