1-Bromodecane C10H21Br 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) = 5.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 229.42 (Adapted Stein & Brown method)
 Melting Pt (deg C): 4.70 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.071 (Mean VP of Antoine & Grain methods)
 MP (exp database): -29.2 deg C
 BP (exp database): 240.6 deg C
 VP (exp database): 4.00E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 0.5645
 log Kow used: 5.60 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.7425 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.09E-001 atm-m3/mole
 Group Method: 1.28E-001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 3.660E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.60 (KowWin est)
 Log Kaw used: 0.649 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.951
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7045
 Biowin2 (Non-Linear Model) : 0.0611
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0377 (weeks )
 Biowin4 (Primary Survey Model) : 3.8331 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5960
 Biowin6 (MITI Non-Linear Model): 0.3703
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.0318
 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): 5.33 Pa (0.04 mm Hg)
 Log Koa (Koawin est ): 4.951
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.63E-007 
 Octanol/air (Koa) model: 2.19E-008 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.03E-005 
 Mackay model : 4.5E-005 
 Octanol/air (Koa) model: 1.75E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 10.6445 E-12 cm3/molecule-sec
 Half-Life = 1.005 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 12.058 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.27E-005 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 3179
 Log Koc: 3.502 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 1.509E-009 L/mol-sec
 Kb Half-Life at pH 8: 1.456E+007 years 
 Kb Half-Life at pH 7: 1.456E+008 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 2.609 (BCF = 406.3)
 log Kow used: 5.60 (estimated)

 Volatilization from Water:
 Henry LC: 0.128 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1.524 hours
 Half-Life from Model Lake : 141.3 hours (5.889 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 98.32 percent
 Total biodegradation: 0.26 percent
 Total sludge adsorption: 61.45 percent
 Total to Air: 36.61 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 2.12 24.1 1000 
 Water 9.69 360 1000 
 Soil 51.2 720 1000 
 Sediment 37 3.24e+003 0 
 Persistence Time: 594 hr