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4-(1-Naphthylamino)-1-butanol
c1ccc2c(c1)cccc2NCCCCO
InChI=1S/C14H17NO/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-16H,3-4,10-11H2
ZHKPFNWNKYUXFV-UHFFFAOYSA-N
CSID:560997, http://www.chemspider.com/Chemical-Structure.560997.html (accessed 06:42, Jun 1, 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) = 2.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.96 (Adapted Stein & Brown method) Melting Pt (deg C): 121.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.65E-007 (Modified Grain method) Subcooled liquid VP: 1.49E-006 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): 145.8 log Kow used: 2.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 525.71 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.49E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.206E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.81 (KowWin est) Log Kaw used: -8.846 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.656 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5700 Biowin2 (Non-Linear Model) : 0.3020 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7484 (weeks-months) Biowin4 (Primary Survey Model) : 3.5582 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3303 Biowin6 (MITI Non-Linear Model): 0.2054 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1270 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): 0.000199 Pa (1.49E-006 mm Hg) Log Koa (Koawin est ): 11.656 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0151 Octanol/air (Koa) model: 0.111 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.353 Mackay model : 0.547 Octanol/air (Koa) model: 0.899 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 217.6710 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.590 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.45 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1544 Log Koc: 3.189 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 = 0.812 (BCF = 6.486) log Kow used: 2.81 (estimated) Volatilization from Water: Henry LC: 3.49E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.462E+007 hours (1.026E+006 days) Half-Life from Model Lake : 2.685E+008 hours (1.119E+007 days) Removal In Wastewater Treatment: Total removal: 4.36 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.25 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 0.000438 1.18 1000 Water 13.8 900 1000 Soil 86 1.8e+003 1000 Sediment 0.208 8.1e+003 0 Persistence Time: 1.73e+003 hr
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