Try beta.chemspider
1,2,3,4-Tetrahydro-9-acridinecarbonitrile
c1ccc2c(c1)c(c3c(n2)CCCC3)C#N
InChI=1S/C14H12N2/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1,3,5,7H,2,4,6,8H2
VEHATGLGJQJYIM-UHFFFAOYSA-N
CSID:1175958, http://www.chemspider.com/Chemical-Structure.1175958.html (accessed 12:29, 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) = 3.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.43 (Adapted Stein & Brown method) Melting Pt (deg C): 130.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.94E-006 (Modified Grain method) Subcooled liquid VP: 6.68E-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): 16.33 log Kow used: 3.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 63.291 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.29E-009 atm-m3/mole Group Method: 5.23E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.968E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.65 (KowWin est) Log Kaw used: -6.590 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.240 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0647 Biowin2 (Non-Linear Model) : 0.9971 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5069 (weeks-months) Biowin4 (Primary Survey Model) : 3.3450 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1251 Biowin6 (MITI Non-Linear Model): 0.0725 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0292 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): 0.00891 Pa (6.68E-005 mm Hg) Log Koa (Koawin est ): 10.240 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000337 Octanol/air (Koa) model: 0.00427 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.012 Mackay model : 0.0262 Octanol/air (Koa) model: 0.254 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.4626 E-12 cm3/molecule-sec Half-Life = 1.022 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.268 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0191 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.261E+004 Log Koc: 4.101 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 = 2.114 (BCF = 129.9) log Kow used: 3.65 (estimated) Volatilization from Water: Henry LC: 5.23E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.616E+005 hours (6731 days) Half-Life from Model Lake : 1.763E+006 hours (7.344E+004 days) Removal In Wastewater Treatment: Total removal: 16.92 percent Total biodegradation: 0.21 percent Total sludge adsorption: 16.70 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 0.0369 24.5 1000 Water 11.7 900 1000 Soil 87.1 1.8e+003 1000 Sediment 1.21 8.1e+003 0 Persistence Time: 1.79e+003 hr
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