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CAS Num: 051115-88-9

SMILES : O(C1CC2)C1(CC(C3)(C4)C)C(C3)(C4)C2(C)C

CHEM : 4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-

MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ 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) = 4.46

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

Boiling Pt (deg C): 254.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 69.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0133 (Modified Grain method)

VP (Pa, 25 deg C) : 1.78 (Modified Grain method)

Subcooled liquid VP: 0.0347 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 5.348

log Kow used: 4.46 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.615 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 4.10E-004 atm-m3/mole (4.15E+001 Pa-m3/mole)

Group Method: 2.18E-005 atm-m3/mole (2.21E+000 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: 7.211E-004 atm-m3/mole (7.306E+001 Pa-m3/mole)

VP: 0.0133 mm Hg (source: MPBPVP)

WS: 5.35 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.46 (KowWin est)

Log Kaw used: -1.776 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.236

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4404

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.8551 (months )

Biowin4 (Primary Survey Model) : 2.9063 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4803

Biowin6 (MITI Non-Linear Model): 0.3181

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.7974

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): 4.63 Pa (0.0347 mm Hg)

Log Koa (Koawin est ): 6.236

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

Mackay model : 6.48E-007

Octanol/air (Koa) model: 4.23E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.34E-005

Mackay model : 5.19E-005

Octanol/air (Koa) model: 3.38E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.0199 E-12 cm3/molecule-sec

Half-Life = 0.763 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.155 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.76E-005 (Junge-Pankow, Mackay avg)

3.38E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4012 L/kg (MCI method)

Log Koc: 3.603 (MCI method)

Koc : 2002 L/kg (Kow method)

Log Koc: 3.301 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 8.306E-003 L/mol-sec

Ka Half-Life at pH 7: 26.441 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.608 (BCF = 405.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3354 days (HL = 2.164 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.840 (BCF = 691.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.843 (BAF = 695.9)

log Kow used: 4.46 (estimated)

Volatilization from Water:

Henry LC: 0.00041 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.635 hours

Half-Life from Model Lake : 164.1 hours (6.838 days)

Removal In Wastewater Treatment:

Total removal: 58.65 percent

Total biodegradation: 0.46 percent

Total sludge adsorption: 51.10 percent

Total to Air: 7.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.768 18.3 1000

Water 7.74 1.44e+003 1000

Soil 89.2 2.88e+003 1000

Sediment 2.27 1.3e+004 0

Persistence Time: 1.43e+003 hr

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