1-(Methylamino)-1-phenylacetone
CC(=O)C(c1ccccc1)NC
InChI=1S/C10H13NO/c1-8(12)10(11-2)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3
LNLNWQQWSFMHBW-UHFFFAOYSA-N
CSID:386041, http://www.chemspider.com/Chemical-Structure.386041.html (accessed 16:16, Nov 28, 2023)
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) = 1.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 251.53 (Adapted Stein & Brown method) Melting Pt (deg C): 38.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0187 (Modified Grain method) Subcooled liquid VP: 0.0246 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): 6.942e+004 log Kow used: 1.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8367e+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 : 1.80E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.785E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.16 (KowWin est) Log Kaw used: -6.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.293 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9586 Biowin2 (Non-Linear Model) : 0.9588 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8624 (weeks ) Biowin4 (Primary Survey Model) : 3.6382 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4097 Biowin6 (MITI Non-Linear Model): 0.3240 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2365 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): 3.28 Pa (0.0246 mm Hg) Log Koa (Koawin est ): 7.293 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.15E-007 Octanol/air (Koa) model: 4.82E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.3E-005 Mackay model : 7.32E-005 Octanol/air (Koa) model: 0.000385 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 82.5242 E-12 cm3/molecule-sec Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.555 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.31E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 153.6 Log Koc: 2.186 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 = 0.190 (BCF = 1.549) log Kow used: 1.16 (estimated) Volatilization from Water: Henry LC: 1.8E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.156E+004 hours (1732 days) Half-Life from Model Lake : 4.535E+005 hours (1.889E+004 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 0.198 3.11 1000 Water 37.6 360 1000 Soil 62.2 720 1000 Sediment 0.0781 3.24e+003 0 Persistence Time: 463 hr
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