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3-(4-Morpholinyl)-1-phenyl-1-propanone
c1ccc(cc1)C(=O)CCN2CCOCC2
InChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2
FUFXUDYTHVEYBS-UHFFFAOYSA-N
CSID:361242, http://www.chemspider.com/Chemical-Structure.361242.html (accessed 23:57, Jun 3, 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) = 0.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.10 (Adapted Stein & Brown method) Melting Pt (deg C): 101.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.75E-005 (Modified Grain method) Subcooled liquid VP: 0.000483 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): 5.108e+004 log Kow used: 0.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6326e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.42E-011 atm-m3/mole Group Method: 9.96E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.943E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.98 (KowWin est) Log Kaw used: -8.743 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.723 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2254 Biowin2 (Non-Linear Model) : 0.0120 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4506 (weeks-months) Biowin4 (Primary Survey Model) : 3.2163 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3130 Biowin6 (MITI Non-Linear Model): 0.1806 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5750 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): 0.0644 Pa (0.000483 mm Hg) Log Koa (Koawin est ): 9.723 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.66E-005 Octanol/air (Koa) model: 0.0013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00168 Mackay model : 0.00371 Octanol/air (Koa) model: 0.094 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 177.3343 E-12 cm3/molecule-sec Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.724 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0027 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 82.84 Log Koc: 1.918 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 = 0.500 (BCF = 3.162) log Kow used: 0.98 (estimated) Volatilization from Water: Henry LC: 9.96E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.705E+008 hours (3.627E+007 days) Half-Life from Model Lake : 9.496E+009 hours (3.957E+008 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 1.29e-005 1.45 1000 Water 40.9 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.0859 8.1e+003 0 Persistence Time: 1.05e+003 hr
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