2-methyldecane C11H23 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) = 5.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 173.05 (Adapted Stein & Brown method)
 Melting Pt (deg C): -43.52 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.858 (Mean VP of Antoine & Grain methods)
 MP (exp database): -48.9 deg C
 BP (exp database): 189.3 deg C
 VP (exp database): 6.02E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 0.2971
 log Kow used: 5.67 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.049029 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 7.04E+000 atm-m3/mole
 Group Method: 1.14E+001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 5.940E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.67 (KowWin est)
 Log Kaw used: 2.459 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.211
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7816
 Biowin2 (Non-Linear Model) : 0.9329
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1521 (weeks )
 Biowin4 (Primary Survey Model) : 3.8913 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5436
 Biowin6 (MITI Non-Linear Model): 0.7267
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.2957
 Ready Biodegradability Prediction: YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 0.9549
 BioHC Half-Life (days) : 9.0138

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 80.3 Pa (0.602 mm Hg)
 Log Koa (Koawin est ): 3.211
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.74E-008 
 Octanol/air (Koa) model: 3.99E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.35E-006 
 Mackay model : 2.99E-006 
 Octanol/air (Koa) model: 3.19E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 12.5152 E-12 cm3/molecule-sec
 Half-Life = 0.855 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 10.256 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 2.17E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2665
 Log Koc: 3.426 

 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 = 2.666 (BCF = 463.3)
 log Kow used: 5.67 (estimated)

 Volatilization from Water:
 Henry LC: 7.04 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.276 hours
 Half-Life from Model Lake : 118.8 hours (4.948 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.96 percent
 Total biodegradation: 0.17 percent
 Total sludge adsorption: 56.96 percent
 Total to Air: 42.83 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 4.54 20.5 1000 
 Water 15.5 360 1000 
 Soil 12.8 720 1000 
 Sediment 67.2 3.24e+003 0 
 Persistence Time: 367 hr