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11-(4-Morpholinyl)-1-undecanol
C1COCCN1CCCCCCCCCCCO
InChI=1S/C15H31NO2/c17-13-9-7-5-3-1-2-4-6-8-10-16-11-14-18-15-12-16/h17H,1-15H2
YJBSSBMFMUWPTG-UHFFFAOYSA-N
CSID:299908, http://www.chemspider.com/Chemical-Structure.299908.html (accessed 15:42, May 2, 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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.68 (Adapted Stein & Brown method) Melting Pt (deg C): 115.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.3E-007 (Modified Grain method) Subcooled liquid VP: 3.36E-006 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): 495.4 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1859.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.56E-010 atm-m3/mole Group Method: 7.05E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.940E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -8.195 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.295 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2311 Biowin2 (Non-Linear Model) : 0.0056 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5268 (weeks-months) Biowin4 (Primary Survey Model) : 3.3081 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6466 Biowin6 (MITI Non-Linear Model): 0.6947 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5574 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): 0.000448 Pa (3.36E-006 mm Hg) Log Koa (Koawin est ): 11.295 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0067 Octanol/air (Koa) model: 0.0484 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.195 Mackay model : 0.349 Octanol/air (Koa) model: 0.795 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 168.3813 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.762 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.272 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 164.6 Log Koc: 2.216 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 = 1.685 (BCF = 48.47) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 7.05E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.332E+008 hours (5.552E+006 days) Half-Life from Model Lake : 1.454E+009 hours (6.057E+007 days) Removal In Wastewater Treatment: Total removal: 6.64 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.50 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 6.78e-005 1.52 1000 Water 12.5 900 1000 Soil 87.1 1.8e+003 1000 Sediment 0.356 8.1e+003 0 Persistence Time: 1.79e+003 hr
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