2-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylideneamino)oxy]-N,N-dimethylethanamine
CN(C)CCON=C1c2ccccc2CCc3c1cccc3
InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
GPTURHKXTUDRPC-UHFFFAOYSA-N
CSID:19832, http://www.chemspider.com/Chemical-Structure.19832.html (accessed 16:56, Oct 4, 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) = 4.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 395.31 (Adapted Stein & Brown method) Melting Pt (deg C): 137.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.96E-007 (Modified Grain method) BP (exp database): 162 @ 0.05 mm Hg deg C Subcooled liquid VP: 1.08E-005 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): 0.2228 log Kow used: 4.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19166 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.384E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.29 (KowWin est) Log Kaw used: -6.875 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.165 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5115 Biowin2 (Non-Linear Model) : 0.0962 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1441 (months ) Biowin4 (Primary Survey Model) : 2.9979 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1945 Biowin6 (MITI Non-Linear Model): 0.0055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3530 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): 0.00144 Pa (1.08E-005 mm Hg) Log Koa (Koawin est ): 11.165 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00208 Octanol/air (Koa) model: 0.0359 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.07 Mackay model : 0.143 Octanol/air (Koa) model: 0.742 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.3430 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.375 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.309E+005 Log Koc: 5.969 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 = 2.603 (BCF = 401.3) log Kow used: 4.29 (estimated) Volatilization from Water: Henry LC: 3.26E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.082E+005 hours (1.284E+004 days) Half-Life from Model Lake : 3.362E+006 hours (1.401E+005 days) Removal In Wastewater Treatment: Total removal: 44.73 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.29 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 0.0131 2.75 1000 Water 8.9 1.44e+003 1000 Soil 85.7 2.88e+003 1000 Sediment 5.37 1.3e+004 0 Persistence Time: 2.66e+003 hr
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