4-[2-(Decyloxy)ethyl]morpholine
CCCCCCCCCCOCCN1CCOCC1
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-13-18-14-10-17-11-15-19-16-12-17/h2-16H2,1H3
PRNFKZLIRCCGHC-UHFFFAOYSA-N
CSID:2831303, http://www.chemspider.com/Chemical-Structure.2831303.html (accessed 15:31, Mar 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) = 3.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.61 (Adapted Stein & Brown method) Melting Pt (deg C): 98.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.29E-005 (Modified Grain method) Subcooled liquid VP: 0.000274 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): 104.4 log Kow used: 3.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 441.16 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-008 atm-m3/mole Group Method: 9.30E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.810E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.80 (KowWin est) Log Kaw used: -5.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.491 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1732 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6255 (weeks-months) Biowin4 (Primary Survey Model) : 3.4177 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4456 Biowin6 (MITI Non-Linear Model): 0.3375 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3447 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): 0.0365 Pa (0.000274 mm Hg) Log Koa (Koawin est ): 9.491 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E-005 Octanol/air (Koa) model: 0.00076 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00296 Mackay model : 0.00653 Octanol/air (Koa) model: 0.0573 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 199.0516 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.645 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00474 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 546.2 Log Koc: 2.737 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 = 2.224 (BCF = 167.5) log Kow used: 3.80 (estimated) Volatilization from Water: Henry LC: 9.3E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.037E+006 hours (4.322E+004 days) Half-Life from Model Lake : 1.132E+007 hours (4.715E+005 days) Removal In Wastewater Treatment: Total removal: 21.84 percent Total biodegradation: 0.25 percent Total sludge adsorption: 21.58 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 0.00607 1.29 1000 Water 11.9 900 1000 Soil 86.4 1.8e+003 1000 Sediment 1.75 8.1e+003 0 Persistence Time: 1.73e+003 hr
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