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1-[4-(9H-Carbazol-9-yl)phenyl]ethanone
O=C(c1ccc(cc1)n4c2ccccc2c3c4cccc3)C
InChI=1S/C20H15NO/c1-14(22)15-10-12-16(13-11-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13H,1H3
MROKJEYKOKZQEK-UHFFFAOYSA-N
CSID:8123367, http://www.chemspider.com/Chemical-Structure.8123367.html (accessed 05:10, Jul 31, 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) = 4.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.52 (Adapted Stein & Brown method) Melting Pt (deg C): 172.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.17E-008 (Modified Grain method) Subcooled liquid VP: 1.41E-006 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): 0.1046 log Kow used: 4.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.64927 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.43E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.497E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.74 (KowWin est) Log Kaw used: -6.853 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.593 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4133 Biowin2 (Non-Linear Model) : 0.0237 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2913 (weeks-months) Biowin4 (Primary Survey Model) : 3.1258 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0048 Biowin6 (MITI Non-Linear Model): 0.0140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8554 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): 0.000188 Pa (1.41E-006 mm Hg) Log Koa (Koawin est ): 11.593 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.016 Octanol/air (Koa) model: 0.0962 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.366 Mackay model : 0.561 Octanol/air (Koa) model: 0.885 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.1020 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.641 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.463 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.074E+004 Log Koc: 4.317 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 = 2.107 (BCF = 127.8) log Kow used: 4.74 (estimated) Volatilization from Water: Henry LC: 3.43E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.883E+005 hours (1.201E+004 days) Half-Life from Model Lake : 3.146E+006 hours (1.311E+005 days) Removal In Wastewater Treatment: Total removal: 67.79 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.18 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 0.0211 1.28 1000 Water 11.3 900 1000 Soil 74.2 1.8e+003 1000 Sediment 14.5 8.1e+003 0 Persistence Time: 1.62e+003 hr
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