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CAS Num: 001195-92-2

SMILES : O(C1(CCC(C(=C)C)C2)C)C12

CHEM : 7-Oxabicyclo 4.1.0 heptane, 1-methyl-4-(1-methylethenyl)-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 3.43

Log Kow (Exper. database match) = 3.20

Exper. Ref: GRIFFIN,S ET AL. (1999)

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

Boiling Pt (deg C): 175.99 (Adapted Stein & Brown method)

Melting Pt (deg C): -9.37 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.59 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 212 (Mean VP of Antoine & Grain methods)

BP (exp database): 113.5 @ 50 mm Hg deg C

VP (exp database): 6.23E-01 mm Hg (8.31E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 137.2

log Kow used: 3.20 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 702 mg/L (25 deg C)

Exper. Ref: FICHAN,I ET AL. (1999)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 392.12 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 4.50E-004 atm-m3/mole (4.56E+001 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.78E-04 atm-m3/mole (1.80E+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: 2.321E-003 atm-m3/mole (2.352E+002 Pa-m3/mole)

VP: 1.59 mm Hg (source: MPBPVP)

WS: 137 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.20 (exp database)

Log Kaw used: -2.138 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.338

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1438

Biowin2 (Non-Linear Model) : 0.0133

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6420 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4649 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4256

Biowin6 (MITI Non-Linear Model): 0.2629

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3427

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): 83.1 Pa (0.623 mm Hg)

Log Koa (Koawin est ): 5.338

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

Mackay model : 3.61E-008

Octanol/air (Koa) model: 5.35E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.3E-006

Mackay model : 2.89E-006

Octanol/air (Koa) model: 4.28E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 62.8129 E-12 cm3/molecule-sec

Half-Life = 0.170 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.043 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

2.1E-006 (Junge-Pankow, Mackay avg)

4.28E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 248.7 L/kg (MCI method)

Log Koc: 2.396 (MCI method)

Koc : 402.3 L/kg (Kow method)

Log Koc: 2.605 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 5.742E+000 L/mol-sec

Ka Half-Life at pH 7: 13.970 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.778 (BCF = 60.03 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3839 days (HL = 2.42 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.160 (BCF = 144.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.160 (BAF = 144.7)

log Kow used: 3.20 (expkow database)

Volatilization from Water:

Henry LC: 0.000178 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 5.317 hours

Half-Life from Model Lake : 161.5 hours (6.728 days)

Removal In Wastewater Treatment:

Total removal: 14.96 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 7.34 percent

Total to Air: 7.49 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.349 3.47 1000

Water 17.2 900 1000

Soil 82.2 1.8e+003 1000

Sediment 0.245 8.1e+003 0

Persistence Time: 739 hr

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