Try beta.chemspider
10-(4-Methylbenzylidene)-9(10H)-anthracenone
Cc1ccc(cc1)C=C2c3ccccc3C(=O)c4c2cccc4
InChI=1S/C22H16O/c1-15-10-12-16(13-11-15)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3
KCTYMDUWWAPGIO-UHFFFAOYSA-N
CSID:294460, http://www.chemspider.com/Chemical-Structure.294460.html (accessed 02:20, 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 439.76 (Adapted Stein & Brown method) Melting Pt (deg C): 171.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.68E-008 (Modified Grain method) Subcooled liquid VP: 8.81E-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): 0.01057 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0047913 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.00E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.887E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: -6.388 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.218 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6680 Biowin2 (Non-Linear Model) : 0.2543 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4469 (weeks-months) Biowin4 (Primary Survey Model) : 3.3294 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0944 Biowin6 (MITI Non-Linear Model): 0.0317 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1463 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): 0.000117 Pa (8.81E-007 mm Hg) Log Koa (Koawin est ): 12.218 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0255 Octanol/air (Koa) model: 0.406 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.48 Mackay model : 0.671 Octanol/air (Koa) model: 0.97 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.1638 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.349 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 302.399994 E-17 cm3/molecule-sec Half-Life = 0.004 Days (at 7E11 mol/cm3) Half-Life = 5.457 Min Fraction sorbed to airborne particulates (phi): 0.576 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.242E+005 Log Koc: 5.351 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 = 2.947 (BCF = 884.7) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 1E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.008E+005 hours (4200 days) Half-Life from Model Lake : 1.1E+006 hours (4.582E+004 days) Removal In Wastewater Treatment: Total removal: 91.27 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.51 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 0.00183 0.088 1000 Water 4.94 900 1000 Soil 38.6 1.8e+003 1000 Sediment 56.4 8.1e+003 0 Persistence Time: 2.27e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight