9-Decen-1-ol C10H20O 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) = 3.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 237.27 (Adapted Stein & Brown method)
 Melting Pt (deg C): 6.62 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00796 (Mean VP of Antoine & Grain methods)
 BP (exp database): 236 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 175.4
 log Kow used: 3.65 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 80.297 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 4.07E-005 atm-m3/mole
 Group Method: 2.45E-005 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 9.331E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.65 (KowWin est)
 Log Kaw used: -2.779 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 6.429
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8319
 Biowin2 (Non-Linear Model) : 0.8707
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0138 (weeks )
 Biowin4 (Primary Survey Model) : 3.7517 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8223
 Biowin6 (MITI Non-Linear Model): 0.9269
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.9562
 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): 1 Pa (0.0075 mm Hg)
 Log Koa (Koawin est ): 6.429
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3E-006 
 Octanol/air (Koa) model: 6.59E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000108 
 Mackay model : 0.00024 
 Octanol/air (Koa) model: 5.27E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 40.0880 E-12 cm3/molecule-sec
 Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.202 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): 0.000174 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 96.17
 Log Koc: 1.983 

 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 = 2.111 (BCF = 129.2)
 log Kow used: 3.65 (estimated)

 Volatilization from Water:
 Henry LC: 4.07E-005 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 19.26 hours
 Half-Life from Model Lake : 314.9 hours (13.12 days)

 Removal In Wastewater Treatment:
 Total removal: 18.56 percent
 Total biodegradation: 0.21 percent
 Total sludge adsorption: 16.54 percent
 Total to Air: 1.81 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.55 5 1000 
 Water 22.5 360 1000 
 Soil 75.6 720 1000 
 Sediment 1.36 3.24e+003 0 
 Persistence Time: 453 hr