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CAS Number: 92760-25-3

SMILES : CC1(C2CCC(O1)(C=C2)C)C

CHEM : 4,7,7-trimethyl-8-oxabicyclo[2.2.2]oct-2-ene

MOL FOR: C10 H16 O1

MOL WT : 152.24

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

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 v1.67 estimate) = 2.92

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

Boiling Pt (deg C): 176.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 9.33 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.53 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 203 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 238.8

log Kow used: 2.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 466.04 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 1.79E-004 atm-m3/mole (1.81E+001 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 1.283E-003 atm-m3/mole (1.300E+002 Pa-m3/mole)

VP: 1.53 mm Hg (source: MPBPVP)

WS: 239 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.92 (KowWin est)

Log Kaw used: -2.136 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.056

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0402

Biowin2 (Non-Linear Model) : 0.0024

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4298 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3115 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4614

Biowin6 (MITI Non-Linear Model): 0.3275

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6760

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): 185 Pa (1.39 mm Hg)

Log Koa (Koawin est ): 5.056

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

Mackay model : 1.62E-008

Octanol/air (Koa) model: 2.79E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.85E-007

Mackay model : 1.29E-006

Octanol/air (Koa) model: 2.23E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 71.6136 E-12 cm3/molecule-sec

Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.792 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

9.4E-007 (Junge-Pankow, Mackay avg)

2.23E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 221.2 L/kg (MCI method)

Log Koc: 2.345 (MCI method)

Koc : 281.6 L/kg (Kow method)

Log Koc: 2.450 (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 = 1.592 (BCF = 39.12 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1351 days (HL = 1.365 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.883 (BCF = 76.43)

Log BAF Arnot-Gobas method (upper trophic) = 1.883 (BAF = 76.44)

log Kow used: 2.92 (estimated)

Volatilization from Water:

Henry LC: 0.000179 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.295 hours

Half-Life from Model Lake : 161.2 hours (6.718 days)

Removal In Wastewater Treatment:

Total removal: 12.59 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.71 percent

Total to Air: 7.76 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.33 3.12 1000

Water 17.7 900 1000

Soil 81.7 1.8e+003 1000

Sediment 0.228 8.1e+003 0

Persistence Time: 718 hr

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