2-Phenylnaphthalene C16H12 structure – Flashcards

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

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): 2.89E-005 (Modified Grain method)
 MP (exp database): 103.5 deg C
 BP (exp database): 345.5 deg C
 VP (exp database): 3.50E-05 mm Hg at 25 deg C
 Subcooled liquid VP: 0.000209 mm Hg (25 deg C, exp database VP )

 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]: 3.047E-006 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): 0.0279 Pa (0.000209 mm Hg)
 Log Koa (Koawin est ): 7.712
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.000108 
 Octanol/air (Koa) model: 1.26E-005 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.00387 
 Mackay model : 0.00854 
 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): 0.00621 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 6.941E+004
 Log Koc: 4.841 

 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 0.543 6.27 1000 
 Water 18 360 1000 
 Soil 63.7 720 1000 
 Sediment 17.7 3.24e+003 0 
 Persistence Time: 545 hr