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CAS Number: 19888-33-6


CHEM : (4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-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) = 5.56

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

Boiling Pt (deg C): 276.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 66.31 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00467 (Modified Grain method)

VP (Pa, 25 deg C) : 0.623 (Modified Grain method)

Subcooled liquid VP: 0.0114 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.6155

log Kow used: 5.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13.088 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 1.93E-003 atm-m3/mole (1.95E+002 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: 2.200E-003 atm-m3/mole (2.229E+002 Pa-m3/mole)

VP: 0.00467 mm Hg (source: MPBPVP)

WS: 0.616 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.56 (KowWin est)

Log Kaw used: -1.103 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.663

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) : 0.3048

Biowin6 (MITI Non-Linear Model): 0.1029

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0691

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): 1.52 Pa (0.0114 mm Hg)

Log Koa (Koawin est ): 6.663

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

Mackay model : 1.97E-006

Octanol/air (Koa) model: 1.13E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.13E-005

Mackay model : 0.000158

Octanol/air (Koa) model: 9.04E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 152.7822 E-12 cm3/molecule-sec

Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.840 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec

Half-Life = 0.026 Days (at 7E11 mol/cm3)

Half-Life = 37.389 Min

Fraction sorbed to airborne particulates (phi):

0.000115 (Junge-Pankow, Mackay avg)

9.04E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3915 L/kg (MCI method)

Log Koc: 3.593 (MCI method)

Koc : 8126 L/kg (Kow method)

Log Koc: 3.910 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 2.916E+000 L/mol-sec

Ka Half-Life at pH 7: 27.515 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.334 (BCF = 2155 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3079 days (HL = 20.32 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.733 (BCF = 5412)

Log BAF Arnot-Gobas method (upper trophic) = 4.437 (BAF = 2.735e+004)

log Kow used: 5.56 (estimated)

Volatilization from Water:

Henry LC: 0.00193 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.965 hours

Half-Life from Model Lake : 145.9 hours (6.08 days)

Removal In Wastewater Treatment:

Total removal: 89.91 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 85.50 percent

Total to Air: 3.71 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0463 0.455 1000

Water 10.4 900 1000

Soil 87.2 1.8e+003 1000

Sediment 2.31 8.1e+003 0

Persistence Time: 810 hr

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