- Charge
Allylphosphonate
[O-]P([O-])(=O)CC=C
InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)/p-2
RZKYDQNMAUSEDZ-UHFFFAOYSA-L
CSID:10459458, http://www.chemspider.com/Chemical-Structure.10459458.html (accessed 14:16, Dec 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) = 0.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 280.59 (Adapted Stein & Brown method) Melting Pt (deg C): 27.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000255 (Modified Grain method) Subcooled liquid VP: 0.000266 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): 7.369e+004 log Kow used: 0.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1858e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.558E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.15 (KowWin est) Log Kaw used: -9.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.334 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6894 Biowin2 (Non-Linear Model) : 0.7817 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9294 (weeks ) Biowin4 (Primary Survey Model) : 3.6716 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4170 Biowin6 (MITI Non-Linear Model): 0.3815 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6415 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): 0.0355 Pa (0.000266 mm Hg) Log Koa (Koawin est ): 9.334 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.46E-005 Octanol/air (Koa) model: 0.00053 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00305 Mackay model : 0.00672 Octanol/air (Koa) model: 0.0407 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5140 E-12 cm3/molecule-sec Half-Life = 0.389 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.665 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.00488 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.572 Log Koc: 0.553 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: 0.15 (estimated) Volatilization from Water: Henry LC: 1.6E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.043E+007 hours (1.684E+006 days) Half-Life from Model Lake : 4.41E+008 hours (1.838E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.000375 6.63 1000 Water 38.3 360 1000 Soil 61.7 720 1000 Sediment 0.0709 3.24e+003 0 Persistence Time: 584 hr
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