N,N-Diethyl-6-(4-methoxyphenoxy)-1-hexanamine
CCN(CC)CCCCCCOc1ccc(cc1)OC
InChI=1S/C17H29NO2/c1-4-18(5-2)14-8-6-7-9-15-20-17-12-10-16(19-3)11-13-17/h10-13H,4-9,14-15H2,1-3H3
UXZWMCMPDVBHDC-UHFFFAOYSA-N
CSID:1723168, http://www.chemspider.com/Chemical-Structure.1723168.html (accessed 08:01, Mar 29, 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) = 4.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 349.52 (Adapted Stein & Brown method) Melting Pt (deg C): 107.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.12E-005 (Modified Grain method) Subcooled liquid VP: 0.000136 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): 13.12 log Kow used: 4.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3573 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.79E-008 atm-m3/mole Group Method: 9.96E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.941E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.80 (KowWin est) Log Kaw used: -5.557 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.357 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6731 Biowin2 (Non-Linear Model) : 0.7883 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2106 (months ) Biowin4 (Primary Survey Model) : 3.3108 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6159 Biowin6 (MITI Non-Linear Model): 0.5596 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2953 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): 0.0181 Pa (0.000136 mm Hg) Log Koa (Koawin est ): 10.357 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000165 Octanol/air (Koa) model: 0.00558 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00594 Mackay model : 0.0131 Octanol/air (Koa) model: 0.309 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 129.0896 E-12 cm3/molecule-sec Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.994 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.49E+004 Log Koc: 4.173 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 = 2.995 (BCF = 988.4) log Kow used: 4.80 (estimated) Volatilization from Water: Henry LC: 9.96E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 99.97 hours (4.165 days) Half-Life from Model Lake : 1231 hours (51.28 days) Removal In Wastewater Treatment: Total removal: 70.44 percent Total biodegradation: 0.63 percent Total sludge adsorption: 69.67 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0499 1.99 1000 Water 9.93 1.44e+003 1000 Soil 70.6 2.88e+003 1000 Sediment 19.5 1.3e+004 0 Persistence Time: 1.96e+003 hr
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