(6-Methyl-3,4-dihydro-2H-pyran-5-yl)(diphenyl)phosphine oxide
O=P(\C1=C(\OCCC1)C)(c2ccccc2)c3ccccc3 CopyCopied
InChI=1S/C18H19O2P/c1-15-18(13-8-14-20-15)21(19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3 CopyCopied
WZWCPQBWRBTZLZ-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.37 (Adapted Stein & Brown method) Melting Pt (deg C): 83.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.08E-006 (Modified Grain method) Subcooled liquid VP: 3.93E-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): 44.95 log Kow used: 2.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6191.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.75E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.431E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.86 (KowWin est) Log Kaw used: -6.629 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5143 Biowin2 (Non-Linear Model) : 0.2576 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5753 (weeks-months) Biowin4 (Primary Survey Model) : 3.4174 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0321 Biowin6 (MITI Non-Linear Model): 0.0139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3787 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): 0.000524 Pa (3.93E-006 mm Hg) Log Koa (Koawin est ): 9.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00573 Octanol/air (Koa) model: 0.000757 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.171 Mackay model : 0.314 Octanol/air (Koa) model: 0.0571 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 159.2132 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.806 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 68.250000 E-17 cm3/molecule-sec Half-Life = 0.017 Days (at 7E11 mol/cm3) Half-Life = 24.179 Min Fraction sorbed to airborne particulates (phi): 0.243 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 40.88 Log Koc: 1.611 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 = 1.506 (BCF = 32.03) log Kow used: 2.86 (estimated) Volatilization from Water: Henry LC: 5.75E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.759E+005 hours (7328 days) Half-Life from Model Lake : 1.919E+006 hours (7.995E+004 days) Removal In Wastewater Treatment: Total removal: 4.66 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.55 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 0.012 0.322 1000 Water 18.8 900 1000 Soil 80.9 1.8e+003 1000 Sediment 0.315 8.1e+003 0 Persistence Time: 1.11e+003 hr
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