Try beta.chemspider
4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one
C1C=C2C(=CC(=O)O2)C(O1)O
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
ZRWPUFFVAOMMNM-UHFFFAOYSA-N
CSID:4534, http://www.chemspider.com/Chemical-Structure.4534.html (accessed 11:41, May 19, 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) = -2.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.07 (Adapted Stein & Brown method) Melting Pt (deg C): 79.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.83E-006 (Modified Grain method) MP (exp database): 111 deg C Subcooled liquid VP: 4.79E-005 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): 1e+006 log Kow used: -2.40 (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: Acrylates Vinyl/Allyl Ethers Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.385E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.40 (KowWin est) Log Kaw used: -8.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.959 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6597 Biowin2 (Non-Linear Model) : 0.9301 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1501 (weeks ) Biowin4 (Primary Survey Model) : 3.9740 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8045 Biowin6 (MITI Non-Linear Model): 0.8297 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6558 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): 0.00639 Pa (4.79E-005 mm Hg) Log Koa (Koawin est ): 5.959 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00047 Octanol/air (Koa) model: 2.23E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0167 Mackay model : 0.0362 Octanol/air (Koa) model: 1.79E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 138.2564 E-12 cm3/molecule-sec Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.928 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 34.222500 E-17 cm3/molecule-sec Half-Life = 0.033 Days (at 7E11 mol/cm3) Half-Life = 48.221 Min Fraction sorbed to airborne particulates (phi): 0.0265 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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: -2.40 (estimated) Volatilization from Water: Henry LC: 1.07E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.793E+006 hours (2.83E+005 days) Half-Life from Model Lake : 7.411E+007 hours (3.088E+006 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 0.00253 0.561 1000 Water 39.3 360 1000 Soil 60.6 720 1000 Sediment 0.0718 3.24e+003 0 Persistence Time: 567 hr
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