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CAS Num: 084681-92-5

SMILES : CC12CCCC(C2(CC)O)(CC1)C

CHEM : Bicyclo[3.2.1]octan-8-ol, 8-ethyl-1,5-dimethyl-

MOL FOR: C12 H22 O1

MOL WT : 182.31

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.87

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 236.09 (Adapted Stein & Brown method)

Melting Pt (deg C): 45.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00486 (Modified Grain method)

VP (Pa, 25 deg C) : 0.648 (Modified Grain method)

Subcooled liquid VP: 0.00746 mm Hg (25 deg C, Mod-Grain method)

: 0.995 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 86.09

log Kow used: 3.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 167.57 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.18E-005 atm-m3/mole (1.20E+000 Pa-m3/mole)

Group Method: 3.15E-006 atm-m3/mole (3.19E-001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.354E-005 atm-m3/mole (1.372E+000 Pa-m3/mole)

VP: 0.00486 mm Hg (source: MPBPVP)

WS: 86.1 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.87 (KowWin est)

Log Kaw used: -3.317 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.187

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1090

Biowin2 (Non-Linear Model) : 0.0086

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1599 (months )

Biowin4 (Primary Survey Model) : 3.1244 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5219

Biowin6 (MITI Non-Linear Model): 0.5325

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9794

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.995 Pa (0.00746 mm Hg)

Log Koa (Koawin est ): 7.187

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 3.02E-006

Octanol/air (Koa) model: 3.78E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000109

Mackay model : 0.000241

Octanol/air (Koa) model: 0.000302

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.2389 E-12 cm3/molecule-sec

Half-Life = 1.045 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.536 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000175 (Junge-Pankow, Mackay avg)

0.000302 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 249.2 L/kg (MCI method)

Log Koc: 2.397 (MCI method)

Koc : 451.1 L/kg (Kow method)

Log Koc: 2.654 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.220 (BCF = 166 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1779 days (HL = 1.506 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.543 (BCF = 349.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.544 (BAF = 349.7)

log Kow used: 3.87 (estimated)

Volatilization from Water:

Henry LC: 3.15E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 252.3 hours (10.51 days)

Half-Life from Model Lake : 2866 hours (119.4 days)

Removal In Wastewater Treatment:

Total removal: 24.62 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 24.21 percent

Total to Air: 0.13 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.629 25.1 1000

Water 17.7 1.44e+003 1000

Soil 81.4 2.88e+003 1000

Sediment 0.27 1.3e+004 0

Persistence Time: 1.44e+003 hr

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