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1-(1-Naphthyl)-1-propanamine
CCC(N)c2cccc1ccccc12
InChI=1S/C13H15N/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2,14H2,1H3
JJYPGFPZTOUPHN-UHFFFAOYSA-N
CSID:10645936, http://www.chemspider.com/Chemical-Structure.10645936.html (accessed 08:34, Apr 25, 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) = 3.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 313.11 (Adapted Stein & Brown method) Melting Pt (deg C): 86.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000252 (Modified Grain method) Subcooled liquid VP: 0.00097 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): 1070 log Kow used: 3.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 133.33 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.741E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.15 (KowWin est) Log Kaw used: -5.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.517 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8132 Biowin2 (Non-Linear Model) : 0.8157 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8142 (weeks ) Biowin4 (Primary Survey Model) : 3.6237 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2918 Biowin6 (MITI Non-Linear Model): 0.1744 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3249 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): 0.129 Pa (0.00097 mm Hg) Log Koa (Koawin est ): 8.517 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.32E-005 Octanol/air (Koa) model: 8.07E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000837 Mackay model : 0.00185 Octanol/air (Koa) model: 0.00642 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.7530 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.340 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00134 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.345E+004 Log Koc: 4.129 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 = 1.729 (BCF = 53.53) log Kow used: 3.15 (estimated) Volatilization from Water: Henry LC: 1.05E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7591 hours (316.3 days) Half-Life from Model Lake : 8.293E+004 hours (3455 days) Removal In Wastewater Treatment: Total removal: 7.19 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.05 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 0.234 2.68 1000 Water 24.1 360 1000 Soil 75.1 720 1000 Sediment 0.535 3.24e+003 0 Persistence Time: 486 hr
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