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1-(5,8-Dioxo-3,4,5,8-tetrahydro-2H-chromen-6-yl)-1,2,3,4,5-cyclopentanepentayl
C1CC2=C(C(=O)C=C(C2=O)[C]3[CH][CH][CH][CH]3)OC1
InChI=1S/C14H11O3/c15-12-8-11(9-4-1-2-5-9)13(16)10-6-3-7-17-14(10)12/h1-2,4-5,8H,3,6-7H2
ZYZSVZGXSRHIIU-UHFFFAOYSA-N
CSID:8603237, http://www.chemspider.com/Chemical-Structure.8603237.html (accessed 12:25, May 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.08 (Adapted Stein & Brown method) Melting Pt (deg C): 128.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-005 (Modified Grain method) Subcooled liquid VP: 0.000132 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): 45.9 log Kow used: 3.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 642.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.057E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.29 (KowWin est) Log Kaw used: -7.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.480 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3033 Biowin2 (Non-Linear Model) : 0.0097 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6322 (weeks-months) Biowin4 (Primary Survey Model) : 3.4584 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4148 Biowin6 (MITI Non-Linear Model): 0.2562 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0791 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): 0.0176 Pa (0.000132 mm Hg) Log Koa (Koawin est ): 10.480 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00017 Octanol/air (Koa) model: 0.00741 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00612 Mackay model : 0.0135 Octanol/air (Koa) model: 0.372 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.8361 E-12 cm3/molecule-sec Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.800 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 6.825000 E-17 cm3/molecule-sec Half-Life = 0.168 Days (at 7E11 mol/cm3) Half-Life = 4.030 Hrs Fraction sorbed to airborne particulates (phi): 0.00979 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.26 Log Koc: 1.262 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 = 1.833 (BCF = 68.05) log Kow used: 3.29 (estimated) Volatilization from Water: Henry LC: 1.58E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.648E+005 hours (2.353E+004 days) Half-Life from Model Lake : 6.161E+006 hours (2.567E+005 days) Removal In Wastewater Treatment: Total removal: 9.07 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.91 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 0.0107 2.34 1000 Water 12.7 900 1000 Soil 86.8 1.8e+003 1000 Sediment 0.56 8.1e+003 0 Persistence Time: 1.69e+003 hr
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