cyclopentylcyclohexane C11H10 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) = 5.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 201.73 (Adapted Stein & Brown method)
 Melting Pt (deg C): -18.51 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.477 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 0.5567
 log Kow used: 5.37 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 0.78708 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 4.64E-001 atm-m3/mole
 Group Method: 1.81E-001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.717E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 5.37 (KowWin est)
 Log Kaw used: 1.278 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.092
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6750
 Biowin2 (Non-Linear Model) : 0.6998
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8626 (weeks )
 Biowin4 (Primary Survey Model) : 3.6280 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4615
 Biowin6 (MITI Non-Linear Model): 0.4998
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): -0.1651
 Ready Biodegradability Prediction: NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 1.3431
 BioHC Half-Life (days) : 22.0353

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 58.4 Pa (0.438 mm Hg)
 Log Koa (Koawin est ): 4.092
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.14E-008 
 Octanol/air (Koa) model: 3.03E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.86E-006 
 Mackay model : 4.11E-006 
 Octanol/air (Koa) model: 2.43E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 16.6032 E-12 cm3/molecule-sec
 Half-Life = 0.644 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 7.731 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 2.98E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 3389
 Log Koc: 3.530 

 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 = 3.436 (BCF = 2730)
 log Kow used: 5.37 (estimated)

 Volatilization from Water:
 Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.261 hours
 Half-Life from Model Lake : 117.2 hours (4.884 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.57 percent
 Total biodegradation: 0.18 percent
 Total sludge adsorption: 55.09 percent
 Total to Air: 44.29 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 2.78 15.5 1000 
 Water 14.6 360 1000 
 Soil 46.5 720 1000 
 Sediment 36 3.24e+003 0 
 Persistence Time: 402 hr