2,3-Dihydro-7H-furo[3,2-g]chromen-7-one
c1cc(=O)oc2c1cc3c(c2)OCC3
InChI=1S/C11H8O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-2,5-6H,3-4H2
VXGRJERITKFWPL-UHFFFAOYSA-N
CSID:133495, http://www.chemspider.com/Chemical-Structure.133495.html (accessed 16:10, Mar 28, 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) = 2.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.30 (Adapted Stein & Brown method) Melting Pt (deg C): 103.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-005 (Modified Grain method) Subcooled liquid VP: 0.000212 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): 929.3 log Kow used: 2.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 118.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.592E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.03 (KowWin est) Log Kaw used: -5.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.117 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0187 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7905 (weeks ) Biowin4 (Primary Survey Model) : 3.8138 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6841 Biowin6 (MITI Non-Linear Model): 0.7809 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6062 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): 0.0283 Pa (0.000212 mm Hg) Log Koa (Koawin est ): 7.117 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000106 Octanol/air (Koa) model: 3.21E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00382 Mackay model : 0.00842 Octanol/air (Koa) model: 0.000257 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.2599 E-12 cm3/molecule-sec Half-Life = 0.247 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.967 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.00612 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 200.1 Log Koc: 2.301 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 = 0.862 (BCF = 7.278) log Kow used: 2.03 (estimated) Volatilization from Water: Henry LC: 2E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4017 hours (167.4 days) Half-Life from Model Lake : 4.394E+004 hours (1831 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.18 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.405 4.08 1000 Water 30.6 360 1000 Soil 68.9 720 1000 Sediment 0.112 3.24e+003 0 Persistence Time: 437 hr
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