1,2-Dihydro-5-acenaphthylenamine
c1cc2c3c(ccc(c3c1)N)CC2
InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2
JEUAWMJVEYFVNJ-UHFFFAOYSA-N
CSID:56315, http://www.chemspider.com/Chemical-Structure.56315.html (accessed 18:06, 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) = 2.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.50 (Adapted Stein & Brown method) Melting Pt (deg C): 79.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00128 (Modified Grain method) Subcooled liquid VP: 0.0042 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): 1917 log Kow used: 2.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1366.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.15E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.487E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.95 (KowWin est) Log Kaw used: -3.427 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.377 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8208 Biowin2 (Non-Linear Model) : 0.8476 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8496 (weeks ) Biowin4 (Primary Survey Model) : 3.6469 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3124 Biowin6 (MITI Non-Linear Model): 0.1162 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4057 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): 0.56 Pa (0.0042 mm Hg) Log Koa (Koawin est ): 6.377 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.36E-006 Octanol/air (Koa) model: 5.85E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000193 Mackay model : 0.000428 Octanol/air (Koa) model: 4.68E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 283.4171 E-12 cm3/molecule-sec Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.172 Min Ozone Reaction: OVERALL Ozone Rate Constant = 10.705000 E-17 cm3/molecule-sec Half-Life = 0.107 Days (at 7E11 mol/cm3) Half-Life = 2.569 Hrs Fraction sorbed to airborne particulates (phi): 0.000311 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4614 Log Koc: 3.664 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 = 1.570 (BCF = 37.16) log Kow used: 2.95 (estimated) Volatilization from Water: Henry LC: 9.15E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 84.57 hours (3.524 days) Half-Life from Model Lake : 1032 hours (42.98 days) Removal In Wastewater Treatment: Total removal: 5.76 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.15 percent Total to Air: 0.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0738 0.67 1000 Water 25.3 360 1000 Soil 74.3 720 1000 Sediment 0.385 3.24e+003 0 Persistence Time: 449 hr
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