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Ethyl (1,1-diethoxyethyl)ethylphosphinate
O=P(OCC)(C(OCC)(OCC)C)CC
InChI=1S/C10H23O4P/c1-6-12-10(5,13-7-2)15(11,9-4)14-8-3/h6-9H2,1-5H3
NKCATCXIVXDKLA-UHFFFAOYSA-N
CSID:8235664, http://www.chemspider.com/Chemical-Structure.8235664.html (accessed 06:07, Jun 1, 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) = 1.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 284.24 (Adapted Stein & Brown method) Melting Pt (deg C): 42.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00314 (Modified Grain method) Subcooled liquid VP: 0.00449 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): 1578 log Kow used: 1.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2809e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.238E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.45 (KowWin est) Log Kaw used: -6.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.590 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2445 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4432 (weeks-months) Biowin4 (Primary Survey Model) : 3.3311 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2736 Biowin6 (MITI Non-Linear Model): 0.0868 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3065 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): 0.599 Pa (0.00449 mm Hg) Log Koa (Koawin est ): 7.590 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.01E-006 Octanol/air (Koa) model: 9.55E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000181 Mackay model : 0.000401 Octanol/air (Koa) model: 0.000763 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.2384 E-12 cm3/molecule-sec Half-Life = 0.322 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.862 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000291 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 440.1 Log Koc: 2.644 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 = 0.418 (BCF = 2.621) log Kow used: 1.45 (estimated) Volatilization from Water: Henry LC: 1.77E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.106E+004 hours (2128 days) Half-Life from Model Lake : 5.572E+005 hours (2.321E+004 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 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 0.149 7.72 1000 Water 36.2 900 1000 Soil 63.5 1.8e+003 1000 Sediment 0.0891 8.1e+003 0 Persistence Time: 967 hr
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