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CAS Number: 71735-79-0


CHEM : (4Z,8Z)-11,11,12-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

MOL FOR: C15 H24 O1

MOL WT : 220.36

------------------------------ 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) = 5.50

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

Boiling Pt (deg C): 279.78 (Adapted Stein & Brown method)

Melting Pt (deg C): 59.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00477 (Modified Grain method)

VP (Pa, 25 deg C) : 0.636 (Modified Grain method)

Subcooled liquid VP: 0.0099 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.6874

log Kow used: 5.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12.803 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 1.63E-003 atm-m3/mole (1.65E+002 Pa-m3/mole)

Group Method: 7.92E-005 atm-m3/mole (8.02E+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: 2.012E-003 atm-m3/mole (2.039E+002 Pa-m3/mole)

VP: 0.00477 mm Hg (source: MPBPVP)

WS: 0.687 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.50 (KowWin est)

Log Kaw used: -1.176 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.676

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0726

Biowin2 (Non-Linear Model) : 0.0009

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2793 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2132 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3303

Biowin6 (MITI Non-Linear Model): 0.1279

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1831

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): 1.32 Pa (0.0099 mm Hg)

Log Koa (Koawin est ): 6.676

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

Mackay model : 2.27E-006

Octanol/air (Koa) model: 1.16E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.21E-005

Mackay model : 0.000182

Octanol/air (Koa) model: 9.31E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 120.6378 E-12 cm3/molecule-sec

Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.064 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec

Half-Life = 0.029 Days (at 7E11 mol/cm3)

Half-Life = 41.256 Min

Fraction sorbed to airborne particulates (phi):

0.000132 (Junge-Pankow, Mackay avg)

9.31E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4682 L/kg (MCI method)

Log Koc: 3.670 (MCI method)

Koc : 7529 L/kg (Kow method)

Log Koc: 3.877 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 3.440E+000 L/mol-sec

Ka Half-Life at pH 7: 23.322 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.296 (BCF = 1979 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2406 days (HL = 17.4 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.683 (BCF = 4817)

Log BAF Arnot-Gobas method (upper trophic) = 4.269 (BAF = 1.857e+004)

log Kow used: 5.50 (estimated)

Volatilization from Water:

Henry LC: 0.00163 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.048 hours

Half-Life from Model Lake : 146.8 hours (6.117 days)

Removal In Wastewater Treatment:

Total removal: 89.23 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 84.90 percent

Total to Air: 3.62 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0487 0.52 1000

Water 9.99 900 1000

Soil 87.3 1.8e+003 1000

Sediment 2.66 8.1e+003 0

Persistence Time: 855 hr

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