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N,N-Dimethyl-2,2-diphenoxyethanamine
CN(C)CC(Oc1ccccc1)Oc2ccccc2
InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
QNMGHBMGNRQPNL-UHFFFAOYSA-N
CSID:33212, http://www.chemspider.com/Chemical-Structure.33212.html (accessed 13:01, May 4, 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) = 3.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.46 (Adapted Stein & Brown method) Melting Pt (deg C): 99.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.16E-005 (Modified Grain method) Subcooled liquid VP: 0.000169 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): 251.8 log Kow used: 3.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.421 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.08E-010 atm-m3/mole Group Method: 1.51E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.249E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.44 (KowWin est) Log Kaw used: -7.430 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.870 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9398 Biowin2 (Non-Linear Model) : 0.9947 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3035 (weeks-months) Biowin4 (Primary Survey Model) : 3.3525 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3339 Biowin6 (MITI Non-Linear Model): 0.1783 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6997 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): 0.0225 Pa (0.000169 mm Hg) Log Koa (Koawin est ): 10.870 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000133 Octanol/air (Koa) model: 0.0182 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00479 Mackay model : 0.0105 Octanol/air (Koa) model: 0.593 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 130.9552 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.980 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00766 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7520 Log Koc: 3.876 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 = 1.951 (BCF = 89.29) log Kow used: 3.44 (estimated) Volatilization from Water: Henry LC: 1.51E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 623.6 hours (25.98 days) Half-Life from Model Lake : 6938 hours (289.1 days) Removal In Wastewater Treatment: Total removal: 11.81 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.56 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.088 1.96 1000 Water 18.2 900 1000 Soil 80.6 1.8e+003 1000 Sediment 1.14 8.1e+003 0 Persistence Time: 1.05e+003 hr
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