Try beta.chemspider
1-Phenylnaphthalene
c1ccc(cc1)c2cccc3c2cccc3
InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
IYDMICQAKLQHLA-UHFFFAOYSA-N
CSID:11302, http://www.chemspider.com/Chemical-Structure.11302.html (accessed 11:06, May 13, 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) = 4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.63 (Adapted Stein & Brown method) Melting Pt (deg C): 94.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000207 (Modified Grain method) MP (exp database): 45 deg C BP (exp database): 334 deg C Subcooled liquid VP: 0.000315 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): 2.549 log Kow used: 4.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.23402 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.04E-005 atm-m3/mole Group Method: 2.94E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.183E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.93 (KowWin est) Log Kaw used: -2.782 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.712 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7784 Biowin2 (Non-Linear Model) : 0.8707 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7698 (weeks ) Biowin4 (Primary Survey Model) : 3.5579 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2030 Biowin6 (MITI Non-Linear Model): 0.1268 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0909 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8291 BioHC Half-Life (days) : 6.7466 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.042 Pa (0.000315 mm Hg) Log Koa (Koawin est ): 7.712 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.14E-005 Octanol/air (Koa) model: 1.26E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00257 Mackay model : 0.00568 Octanol/air (Koa) model: 0.00101 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9118 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.137 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00413 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.085E+004 Log Koc: 4.850 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 = 3.098 (BCF = 1254) log Kow used: 4.93 (estimated) Volatilization from Water: Henry LC: 2.94E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 29.92 hours (1.247 days) Half-Life from Model Lake : 446.2 hours (18.59 days) Removal In Wastewater Treatment: Total removal: 75.50 percent Total biodegradation: 0.66 percent Total sludge adsorption: 74.52 percent Total to Air: 0.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.544 6.27 1000 Water 18 360 1000 Soil 63.7 720 1000 Sediment 17.7 3.24e+003 0 Persistence Time: 544 hr
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