Diethyl vinylphosphonate
CCOP(=O)(C=C)OCC
InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
DREPONDJUKIQLX-UHFFFAOYSA-N
CSID:62832, http://www.chemspider.com/Chemical-Structure.62832.html (accessed 09:58, Oct 4, 2023)
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) = 0.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 212.29 (Adapted Stein & Brown method) Melting Pt (deg C): -14.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.326 (Mean VP of Antoine & Grain methods) BP (exp database): 202 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.494e+004 log Kow used: 0.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5934e+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 : 4.61E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.713E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.75 (KowWin est) Log Kaw used: -3.725 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.475 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6694 Biowin2 (Non-Linear Model) : 0.6633 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8364 (weeks ) Biowin4 (Primary Survey Model) : 3.6109 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3420 Biowin6 (MITI Non-Linear Model): 0.2263 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5083 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): 39.9 Pa (0.299 mm Hg) Log Koa (Koawin est ): 4.475 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.53E-008 Octanol/air (Koa) model: 7.33E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.72E-006 Mackay model : 6.02E-006 Octanol/air (Koa) model: 5.86E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 64.9286 E-12 cm3/molecule-sec Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.977 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.37E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26 Log Koc: 1.415 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 = 0.500 (BCF = 3.162) log Kow used: 0.75 (estimated) Volatilization from Water: Henry LC: 4.61E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 164 hours (6.834 days) Half-Life from Model Lake : 1897 hours (79.03 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.582 3.86 1000 Water 46 360 1000 Soil 53.4 720 1000 Sediment 0.0886 3.24e+003 0 Persistence Time: 337 hr
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