(4-Ethylphenyl)(phenyl)methanone
CCc1ccc(cc1)C(=O)c2ccccc2
InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
IJUPTKULISHEID-UHFFFAOYSA-N
CSID:26946, http://www.chemspider.com/Chemical-Structure.26946.html (accessed 04:06, Apr 20, 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) = 4.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.11 (Adapted Stein & Brown method) Melting Pt (deg C): 89.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00011 (Modified Grain method) Subcooled liquid VP: 0.000457 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): 10.32 log Kow used: 4.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.694 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.85E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.949E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.19 (KowWin est) Log Kaw used: -3.934 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.124 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8370 Biowin2 (Non-Linear Model) : 0.8750 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6592 (weeks-months) Biowin4 (Primary Survey Model) : 3.4585 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2230 Biowin6 (MITI Non-Linear Model): 0.1499 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3979 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): 0.0609 Pa (0.000457 mm Hg) Log Koa (Koawin est ): 8.124 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.92E-005 Octanol/air (Koa) model: 3.27E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00178 Mackay model : 0.00392 Octanol/air (Koa) model: 0.00261 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.2955 E-12 cm3/molecule-sec Half-Life = 1.466 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.593 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00285 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3372 Log Koc: 3.528 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 = 1.683 (BCF = 48.18) log Kow used: 4.19 (estimated) Volatilization from Water: Henry LC: 2.85E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 299.4 hours (12.47 days) Half-Life from Model Lake : 3388 hours (141.1 days) Removal In Wastewater Treatment: Total removal: 39.49 percent Total biodegradation: 0.39 percent Total sludge adsorption: 39.00 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.944 35.2 1000 Water 16.1 900 1000 Soil 77 1.8e+003 1000 Sediment 5.93 8.1e+003 0 Persistence Time: 1.15e+003 hr
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