1-[(Diethylamino)methyl]-2-naphthol
CCN(CC)Cc1c2ccccc2ccc1O
InChI=1S/C15H19NO/c1-3-16(4-2)11-14-13-8-6-5-7-12(13)9-10-15(14)17/h5-10,17H,3-4,11H2,1-2H3
WXECJRDZWHLBGJ-UHFFFAOYSA-N
CSID:367675, http://www.chemspider.com/Chemical-Structure.367675.html (accessed 10:21, Apr 19, 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) = 3.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.53 (Adapted Stein & Brown method) Melting Pt (deg C): 123.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.86E-006 (Modified Grain method) Subcooled liquid VP: 1.77E-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): 1414 log Kow used: 3.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 635.61 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.28E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.969E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.42 (KowWin est) Log Kaw used: -8.666 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.086 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5489 Biowin2 (Non-Linear Model) : 0.1734 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4940 (weeks-months) Biowin4 (Primary Survey Model) : 3.2686 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1026 Biowin6 (MITI Non-Linear Model): 0.0497 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8451 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): 0.00236 Pa (1.77E-005 mm Hg) Log Koa (Koawin est ): 12.086 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00127 Octanol/air (Koa) model: 0.299 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0439 Mackay model : 0.0923 Octanol/air (Koa) model: 0.96 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 221.4512 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.580 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0681 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.381E+004 Log Koc: 4.642 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 = 1.937 (BCF = 86.45) log Kow used: 3.42 (estimated) Volatilization from Water: Henry LC: 5.28E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.679E+007 hours (6.997E+005 days) Half-Life from Model Lake : 1.832E+008 hours (7.633E+006 days) Removal In Wastewater Treatment: Total removal: 11.34 percent Total biodegradation: 0.17 percent Total sludge adsorption: 11.17 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 0.00041 1.16 1000 Water 11.8 900 1000 Soil 87.5 1.8e+003 1000 Sediment 0.707 8.1e+003 0 Persistence Time: 1.82e+003 hr
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