Diethyl methylphosphonate
CCOP(=O)(C)OCC
InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
NYYLZXREFNYPKB-UHFFFAOYSA-N
CSID:12164, http://www.chemspider.com/Chemical-Structure.12164.html (accessed 08:17, Apr 20, 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) = 0.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 194.01 (Adapted Stein & Brown method) Melting Pt (deg C): -24.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.486 (Mean VP of Antoine & Grain methods) BP (exp database): 194 deg C VP (exp database): 1.33E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.403e+004 log Kow used: 0.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.9999e+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 : 2.20E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.859E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.40 (KowWin est) Log Kaw used: -4.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.446 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6751 Biowin2 (Non-Linear Model) : 0.7002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8630 (weeks ) Biowin4 (Primary Survey Model) : 3.6282 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3596 Biowin6 (MITI Non-Linear Model): 0.2791 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6493 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): 1.77 Pa (0.0133 mm Hg) Log Koa (Koawin est ): 4.446 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.69E-006 Octanol/air (Koa) model: 6.85E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.11E-005 Mackay model : 0.000135 Octanol/air (Koa) model: 5.48E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.7646 E-12 cm3/molecule-sec Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.311 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.82E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.09 Log Koc: 1.117 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: 0.40 (estimated) Volatilization from Water: Henry LC: 2.2E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 329.5 hours (13.73 days) Half-Life from Model Lake : 3698 hours (154.1 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.931 6.62 1000 Water 47 360 1000 Soil 51.9 720 1000 Sediment 0.0881 3.24e+003 0 Persistence Time: 340 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight