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1-(3-Biphenylyl)-1-propanone
CCC(=O)c1cccc(c1)c2ccccc2
InChI=1S/C15H14O/c1-2-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
UWSZEAAIPZTRHC-UHFFFAOYSA-N
CSID:11853646, http://www.chemspider.com/Chemical-Structure.11853646.html (accessed 03:53, Aug 7, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.12 (Adapted Stein & Brown method) Melting Pt (deg C): 93.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.41E-005 (Modified Grain method) Subcooled liquid VP: 0.000203 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): 17.09 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.789 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-006 atm-m3/mole Group Method: 1.23E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.140E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -4.388 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.318 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7824 Biowin2 (Non-Linear Model) : 0.7972 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7340 (weeks-months) Biowin4 (Primary Survey Model) : 3.5270 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3281 Biowin6 (MITI Non-Linear Model): 0.2348 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2501 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): 0.0271 Pa (0.000203 mm Hg) Log Koa (Koawin est ): 8.318 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000111 Octanol/air (Koa) model: 5.11E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00399 Mackay model : 0.00879 Octanol/air (Koa) model: 0.00407 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.0460 E-12 cm3/molecule-sec Half-Life = 1.769 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.229 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00639 (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 = 1.485 (BCF = 30.56) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 1.23E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 691.7 hours (28.82 days) Half-Life from Model Lake : 7668 hours (319.5 days) Removal In Wastewater Treatment: Total removal: 27.02 percent Total biodegradation: 0.30 percent Total sludge adsorption: 26.67 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.996 42.5 1000 Water 16.5 900 1000 Soil 79.3 1.8e+003 1000 Sediment 3.29 8.1e+003 0 Persistence Time: 1.16e+003 hr
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