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CAS Number:

SMILES : O=C(C)OC1CC2(CC2C1C)C(C)C

CHEM :

MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 4.16

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

Boiling Pt (deg C): 222.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 23.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.114 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 15.2 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 12.72

log Kow used: 4.16 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.177 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 4.37E-004 atm-m3/mole (4.42E+001 Pa-m3/mole)

Group Method: 1.14E-004 atm-m3/mole (1.16E+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: 2.315E-003 atm-m3/mole (2.345E+002 Pa-m3/mole)

VP: 0.114 mm Hg (source: MPBPVP)

WS: 12.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.16 (KowWin est)

Log Kaw used: -1.748 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.908

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6443

Biowin2 (Non-Linear Model) : 0.9294

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6401 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5673

Biowin6 (MITI Non-Linear Model): 0.4419

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0679

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): 14.1 Pa (0.106 mm Hg)

Log Koa (Koawin est ): 5.908

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

Mackay model : 2.12E-007

Octanol/air (Koa) model: 1.99E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.67E-006

Mackay model : 1.7E-005

Octanol/air (Koa) model: 1.59E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.7929 E-12 cm3/molecule-sec

Half-Life = 1.216 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.597 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.23E-005 (Junge-Pankow, Mackay avg)

1.59E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 474.4 L/kg (MCI method)

Log Koc: 2.676 (MCI method)

Koc : 1447 L/kg (Kow method)

Log Koc: 3.161 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.548E-002 L/mol-sec

Kb Half-Life at pH 8: 84.020 days

Kb Half-Life at pH 7: 2.300 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.414 (BCF = 259.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1527 days (HL = 0.7035 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.396 (BCF = 249.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.397 (BAF = 249.2)

log Kow used: 4.16 (estimated)

Volatilization from Water:

Henry LC: 0.000114 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.625 hours

Half-Life from Model Lake : 211.6 hours (8.815 days)

Removal In Wastewater Treatment:

Total removal: 40.50 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 36.77 percent

Total to Air: 3.37 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.55 29.2 1000

Water 15.4 900 1000

Soil 82.7 1.8e+003 1000

Sediment 0.403 8.1e+003 0

Persistence Time: 897 hr

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