- Double-bond stereo
(1E)-N-[2-(4-Phenoxyphenoxy)ethoxy]-1-propanimine
O(c2ccc(Oc1ccccc1)cc2)CCO\N=C\CC
InChI=1S/C17H19NO3/c1-2-12-18-20-14-13-19-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-12H,2,13-14H2,1H3/b18-12+
DLIIIERHFVFJBS-LDADJPATSA-N
CSID:7851176, http://www.chemspider.com/Chemical-Structure.7851176.html (accessed 04:10, Apr 20, 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) = 4.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 381.62 (Adapted Stein & Brown method) Melting Pt (deg C): 123.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.43E-006 (Modified Grain method) Subcooled liquid VP: 2.32E-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): 3.873 log Kow used: 4.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.098586 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.14E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.356E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.20 (KowWin est) Log Kaw used: -4.892 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.092 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0036 Biowin2 (Non-Linear Model) : 0.9948 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4744 (weeks-months) Biowin4 (Primary Survey Model) : 3.5952 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4256 Biowin6 (MITI Non-Linear Model): 0.3149 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3840 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): 0.00309 Pa (2.32E-005 mm Hg) Log Koa (Koawin est ): 9.092 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00097 Octanol/air (Koa) model: 0.000303 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0338 Mackay model : 0.072 Octanol/air (Koa) model: 0.0237 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.3413 E-12 cm3/molecule-sec Half-Life = 0.286 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.437 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0529 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.197E+004 Log Koc: 4.857 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 = 2.533 (BCF = 341.4) log Kow used: 4.20 (estimated) Volatilization from Water: Henry LC: 3.14E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3151 hours (131.3 days) Half-Life from Model Lake : 3.452E+004 hours (1438 days) Removal In Wastewater Treatment: Total removal: 39.95 percent Total biodegradation: 0.40 percent Total sludge adsorption: 39.54 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.235 6.87 1000 Water 15.8 900 1000 Soil 78 1.8e+003 1000 Sediment 5.95 8.1e+003 0 Persistence Time: 1.18e+003 hr
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