N-(Cyclopropylmethyl)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-imine
c1ccc2c(c1)CCc3ccccc3C2=NCC4CC4
InChI=1S/C19H19N/c1-3-7-17-15(5-1)11-12-16-6-2-4-8-18(16)19(17)20-13-14-9-10-14/h1-8,14H,9-13H2
FLYATLABCNXSMD-UHFFFAOYSA-N
CSID:168411, http://www.chemspider.com/Chemical-Structure.168411.html (accessed 12:24, 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) = 6.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 373.95 (Adapted Stein & Brown method) Melting Pt (deg C): 123.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.69E-006 (Modified Grain method) Subcooled liquid VP: 3.54E-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): 0.01091 log Kow used: 6.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0023946 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.75E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.163E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.05 (KowWin est) Log Kaw used: -3.145 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.195 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7325 Biowin2 (Non-Linear Model) : 0.6110 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4719 (weeks-months) Biowin4 (Primary Survey Model) : 3.3336 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0098 Biowin6 (MITI Non-Linear Model): 0.0283 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3455 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): 0.00472 Pa (3.54E-005 mm Hg) Log Koa (Koawin est ): 9.195 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000636 Octanol/air (Koa) model: 0.000385 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0224 Mackay model : 0.0484 Octanol/air (Koa) model: 0.0298 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.2001 E-12 cm3/molecule-sec Half-Life = 0.704 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.444 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0354 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.868E+005 Log Koc: 5.896 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 = 3.955 (BCF = 9012) log Kow used: 6.05 (estimated) Volatilization from Water: Henry LC: 1.75E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 55.74 hours (2.322 days) Half-Life from Model Lake : 743.6 hours (30.98 days) Removal In Wastewater Treatment: Total removal: 92.36 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.57 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.263 16.9 1000 Water 3.85 900 1000 Soil 35.4 1.8e+003 1000 Sediment 60.5 8.1e+003 0 Persistence Time: 2.49e+003 hr
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