1-Icosene C20H40 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) = 10.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 333.05 (Adapted Stein & Brown method)
 Melting Pt (deg C): 50.38 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.000409 (Modified Grain method)
 MP (exp database): 28.5 deg C
 BP (exp database): 341 deg C
 VP (exp database): 1.06E-05 mm Hg at 25 deg C
 Subcooled liquid VP: 1.15E-005 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): 1.264e-005
 log Kow used: 10.03 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 3.5539e-006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.89E+001 atm-m3/mole
 Group Method: 6.74E+001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.194E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 10.03 (KowWin est)
 Log Kaw used: 2.888 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 7.142
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7224
 Biowin2 (Non-Linear Model) : 0.7045
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8775 (weeks )
 Biowin4 (Primary Survey Model) : 3.7121 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.7366
 Biowin6 (MITI Non-Linear Model): 0.8621
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.6600
 Ready Biodegradability Prediction: YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 1.5018
 BioHC Half-Life (days) : 31.7530

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 0.00153 Pa (1.15E-005 mm Hg)
 Log Koa (Koawin est ): 7.142
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.00196 
 Octanol/air (Koa) model: 3.4E-006 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.066 
 Mackay model : 0.135 
 Octanol/air (Koa) model: 0.000272 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 49.9606 E-12 cm3/molecule-sec
 Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 2.569 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
 Half-Life = 0.955 Days (at 7E11 mol/cm3)
 Half-Life = 22.920 Hrs
 Fraction sorbed to airborne particulates (phi): 0.101 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 7.852E+005
 Log Koc: 5.895 

 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 = 0.663 (BCF = 4.603)
 log Kow used: 10.03 (estimated)

 Volatilization from Water:
 Henry LC: 18.9 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.709 hours
 Half-Life from Model Lake : 159.1 hours (6.629 days)

 Removal In Wastewater Treatment:
 Total removal: 94.22 percent
 Total biodegradation: 0.76 percent
 Total sludge adsorption: 92.20 percent
 Total to Air: 1.27 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.154 4.2 1000 
 Water 3.74 360 1000 
 Soil 27.9 720 1000 
 Sediment 68.2 3.24e+003 0 
 Persistence Time: 1.24e+003 hr