Try beta.chemspider
1,2,3-Triphenyl-1-propanone
c1ccc(cc1)CC(c2ccccc2)C(=O)c3ccccc3
InChI=1S/C21H18O/c22-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15,20H,16H2
DVSJRMGIJOSODD-UHFFFAOYSA-N
CSID:203528, http://www.chemspider.com/Chemical-Structure.203528.html (accessed 18:30, May 5, 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) = 5.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 405.29 (Adapted Stein & Brown method) Melting Pt (deg C): 137.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.51E-007 (Modified Grain method) Subcooled liquid VP: 6.18E-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): 0.292 log Kow used: 5.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.096199 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.49E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.820E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.51 (KowWin est) Log Kaw used: -5.460 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.970 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1116 Biowin2 (Non-Linear Model) : 0.9936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4602 (weeks-months) Biowin4 (Primary Survey Model) : 3.2900 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0357 Biowin6 (MITI Non-Linear Model): 0.0489 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5359 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): 0.000824 Pa (6.18E-006 mm Hg) Log Koa (Koawin est ): 10.970 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00364 Octanol/air (Koa) model: 0.0229 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.116 Mackay model : 0.226 Octanol/air (Koa) model: 0.647 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.6807 E-12 cm3/molecule-sec Half-Life = 0.641 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.695 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.171 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.385E+005 Log Koc: 5.141 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 = 2.700 (BCF = 501.5) log Kow used: 5.51 (estimated) Volatilization from Water: Henry LC: 8.49E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.167E+004 hours (486.3 days) Half-Life from Model Lake : 1.275E+005 hours (5311 days) Removal In Wastewater Treatment: Total removal: 88.41 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.66 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 0.176 15.4 1000 Water 6.39 900 1000 Soil 51.8 1.8e+003 1000 Sediment 41.6 8.1e+003 0 Persistence Time: 2.21e+003 hr
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