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3-(Diphenylphosphoryl)-1-phenylpropyl acetate
O=P(c1ccccc1)(c2ccccc2)CCC(OC(=O)C)c3ccccc3
InChI=1S/C23H23O3P/c1-19(24)26-23(20-11-5-2-6-12-20)17-18-27(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3
YAIUNEYVFZMVNY-UHFFFAOYSA-N
CSID:8913745, http://www.chemspider.com/Chemical-Structure.8913745.html (accessed 00:46, Jul 9, 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) = 4.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method) Melting Pt (deg C): 90.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.06E-008 (Modified Grain method) Subcooled liquid VP: 8.76E-008 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): 1.483 log Kow used: 4.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.477 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.96E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.916E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.04 (KowWin est) Log Kaw used: -9.546 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.586 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1258 Biowin2 (Non-Linear Model) : 0.9992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5692 (weeks-months) Biowin4 (Primary Survey Model) : 3.5454 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1429 Biowin6 (MITI Non-Linear Model): 0.0470 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2365 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): 1.17E-005 Pa (8.76E-008 mm Hg) Log Koa (Koawin est ): 13.586 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.257 Octanol/air (Koa) model: 9.46 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.903 Mackay model : 0.954 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.9476 E-12 cm3/molecule-sec Half-Life = 0.716 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.587 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2502 Log Koc: 3.398 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.163E-002 L/mol-sec Kb Half-Life at pH 8: 130.161 days Kb Half-Life at pH 7: 3.564 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.409 (BCF = 256.4) log Kow used: 4.04 (estimated) Volatilization from Water: Henry LC: 6.96E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.636E+008 hours (6.818E+006 days) Half-Life from Model Lake : 1.785E+009 hours (7.438E+007 days) Removal In Wastewater Treatment: Total removal: 31.92 percent Total biodegradation: 0.34 percent Total sludge adsorption: 31.59 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 0.000545 17.2 1000 Water 10.9 900 1000 Soil 86.3 1.8e+003 1000 Sediment 2.82 8.1e+003 0 Persistence Time: 1.89e+003 hr
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