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4-Formylphenyl 1-naphthoate
c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=O
InChI=1S/C18H12O3/c19-12-13-8-10-15(11-9-13)21-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H
KLURIIXZCMFZTJ-UHFFFAOYSA-N
CSID:515732, http://www.chemspider.com/Chemical-Structure.515732.html (accessed 09:42, May 18, 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) = 3.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.34 (Adapted Stein & Brown method) Melting Pt (deg C): 152.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.33E-007 (Modified Grain method) Subcooled liquid VP: 2.65E-006 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): 7.291 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.4785 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.12E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.632E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (KowWin est) Log Kaw used: -6.894 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0748 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7511 (weeks ) Biowin4 (Primary Survey Model) : 3.8747 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7357 Biowin6 (MITI Non-Linear Model): 0.7428 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0808 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): 0.000353 Pa (2.65E-006 mm Hg) Log Koa (Koawin est ): 10.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00849 Octanol/air (Koa) model: 0.0167 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.235 Mackay model : 0.404 Octanol/air (Koa) model: 0.573 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.2948 E-12 cm3/molecule-sec Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.442 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.32 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3785 Log Koc: 3.578 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.448E+000 L/mol-sec Kb Half-Life at pH 8: 5.541 days Kb Half-Life at pH 7: 55.409 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.332 (BCF = 214.9) log Kow used: 3.94 (estimated) Volatilization from Water: Henry LC: 3.12E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.119E+005 hours (1.3E+004 days) Half-Life from Model Lake : 3.403E+006 hours (1.418E+005 days) Removal In Wastewater Treatment: Total removal: 27.40 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.10 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 0.0647 6.88 1000 Water 16.5 360 1000 Soil 81.5 720 1000 Sediment 1.85 3.24e+003 0 Persistence Time: 744 hr
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