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1-(9H-Fluoren-9-yl)-1H-benzotriazole
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
InChI=1S/C19H13N3/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)22-18-12-6-5-11-17(18)20-21-22/h1-12,19H
OQTCPGHNMNOQGP-UHFFFAOYSA-N
CSID:2963555, http://www.chemspider.com/Chemical-Structure.2963555.html (accessed 04:55, Jul 6, 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) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.80 (Adapted Stein & Brown method) Melting Pt (deg C): 190.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.7E-009 (Modified Grain method) Subcooled liquid VP: 4.19E-007 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): 0.178 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.30367 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.613E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: -6.537 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6127 Biowin2 (Non-Linear Model) : 0.2661 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5730 (weeks-months) Biowin4 (Primary Survey Model) : 3.4390 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0419 Biowin6 (MITI Non-Linear Model): 0.0189 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2760 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): 5.59E-005 Pa (4.19E-007 mm Hg) Log Koa (Koawin est ): 11.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0537 Octanol/air (Koa) model: 0.0255 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.66 Mackay model : 0.811 Octanol/air (Koa) model: 0.671 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.3941 E-12 cm3/molecule-sec Half-Life = 1.029 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.349 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.735 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.732E+006 Log Koc: 6.436 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 = 2.749 (BCF = 560.9) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 7.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.386E+005 hours (5775 days) Half-Life from Model Lake : 1.512E+006 hours (6.301E+004 days) Removal In Wastewater Treatment: Total removal: 54.97 percent Total biodegradation: 0.51 percent Total sludge adsorption: 54.46 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 0.121 24.7 1000 Water 10.9 900 1000 Soil 81.1 1.8e+003 1000 Sediment 7.82 8.1e+003 0 Persistence Time: 1.79e+003 hr
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