4-Hydroxydihydro-2(3H)-furanone
C1C(COC1=O)O
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2
FUDDLSHBRSNCBV-UHFFFAOYSA-N
CSID:86345, http://www.chemspider.com/Chemical-Structure.86345.html (accessed 13:53, Mar 29, 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) = -1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.05 (Adapted Stein & Brown method) Melting Pt (deg C): 4.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00699 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.75E-009 atm-m3/mole Group Method: 3.46E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.390E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.84 (KowWin est) Log Kaw used: -6.814 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.974 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0319 Biowin2 (Non-Linear Model) : 0.9988 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2737 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0589 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9652 Biowin6 (MITI Non-Linear Model): 0.9668 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9401 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.881 Pa (0.00661 mm Hg) Log Koa (Koawin est ): 4.974 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.4E-006 Octanol/air (Koa) model: 2.31E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000123 Mackay model : 0.000272 Octanol/air (Koa) model: 1.85E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.1188 E-12 cm3/molecule-sec Half-Life = 1.317 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.809 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000198 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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: -1.84 (estimated) Volatilization from Water: Henry LC: 3.46E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.71E+006 hours (7.124E+004 days) Half-Life from Model Lake : 1.865E+007 hours (7.772E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.0122 31.6 1000 Water 34.5 208 1000 Soil 65.4 416 1000 Sediment 0.0597 1.87e+003 0 Persistence Time: 387 hr
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