Try beta.chemspider
3-[3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-chromen-2-one
C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6
InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2
FVQITOLOYMWVFU-UHFFFAOYSA-N
CSID:10469075, http://www.chemspider.com/Chemical-Structure.10469075.html (accessed 18:24, Apr 25, 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) = 7.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 660.76 (Adapted Stein & Brown method) Melting Pt (deg C): 287.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.59E-017 (Modified Grain method) MP (exp database): 216 deg C VP (exp database): 1.20E-06 mm Hg at 45 deg C Subcooled liquid VP: 1.72E-015 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): 0.0004972 log Kow used: 7.62 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.031 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997); pH 5.2 Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.4324e-006 mg/L Wat Sol (Exper. database match) = 0.03 Exper. Ref: TOMLIN,C (1997); pH 5.2 ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.870E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.62 (KowWin est) Log Kaw used: -10.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.875 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1609 Biowin2 (Non-Linear Model) : 0.9956 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3144 (weeks-months) Biowin4 (Primary Survey Model) : 3.3641 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0212 Biowin6 (MITI Non-Linear Model): 0.0151 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6680 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): 2.29E-013 Pa (1.72E-015 mm Hg) Log Koa (Koawin est ): 17.875 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.31E+007 Octanol/air (Koa) model: 1.84E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 61.7077 E-12 cm3/molecule-sec Half-Life = 0.173 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.080 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.653E+006 Log Koc: 6.668 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 = 3.955 (BCF = 9010) log Kow used: 7.62 (estimated) Volatilization from Water: Henry LC: 1.36E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.077E+008 hours (3.782E+007 days) Half-Life from Model Lake : 9.902E+009 hours (4.126E+008 days) Removal In Wastewater Treatment: Total removal: 93.99 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.21 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 0.0194 1.36 1000 Water 1.94 900 1000 Soil 29 1.8e+003 1000 Sediment 69 8.1e+003 0 Persistence Time: 3.13e+003 hr
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