1-(6-Methoxy-2-naphthyl)-2-propanamine
CC(Cc1ccc2cc(ccc2c1)OC)N
InChI=1S/C14H17NO/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11/h3-6,8-10H,7,15H2,1-2H3
YYZOZFYDYBTLPQ-UHFFFAOYSA-N
CSID:16825590, http://www.chemspider.com/Chemical-Structure.16825590.html (accessed 14:54, Apr 18, 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) = 3.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.47 (Adapted Stein & Brown method) Melting Pt (deg C): 106.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.77E-005 (Modified Grain method) Subcooled liquid VP: 0.000234 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): 993.5 log Kow used: 3.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 72.904 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.23E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.075E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.01 (KowWin est) Log Kaw used: -6.594 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.604 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9855 Biowin2 (Non-Linear Model) : 0.9799 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6149 (weeks-months) Biowin4 (Primary Survey Model) : 3.5890 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2439 Biowin6 (MITI Non-Linear Model): 0.1075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1720 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): 0.0312 Pa (0.000234 mm Hg) Log Koa (Koawin est ): 9.604 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.62E-005 Octanol/air (Koa) model: 0.000986 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00346 Mackay model : 0.00763 Octanol/air (Koa) model: 0.0731 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.4164 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.795 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00555 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8768 Log Koc: 3.943 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 = 1.619 (BCF = 41.64) log Kow used: 3.01 (estimated) Volatilization from Water: Henry LC: 6.23E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.379E+005 hours (5746 days) Half-Life from Model Lake : 1.504E+006 hours (6.269E+004 days) Removal In Wastewater Treatment: Total removal: 5.78 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.65 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 0.0289 1.59 1000 Water 15.5 900 1000 Soil 84.2 1.8e+003 1000 Sediment 0.36 8.1e+003 0 Persistence Time: 1.38e+003 hr
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