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CAS Number: 92356-06-4

SMILES : Cc1c(occ1)CC2C(O2)(C)C

CHEM : 2-[(3,3-dimethyloxiran-2-yl)methyl]-3-methylfuran

MOL FOR: C10 H14 O2

MOL WT : 166.22

------------------------------ 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) = 2.87

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

Boiling Pt (deg C): 208.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 25.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.214 (Modified Grain method)

VP (Pa, 25 deg C) : 28.5 (Modified Grain method)

Subcooled liquid VP: 0.218 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 227.6

log Kow used: 2.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 566.15 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono

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

Bond Method : 2.50E-005 atm-m3/mole (2.53E+000 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: 2.056E-004 atm-m3/mole (2.084E+001 Pa-m3/mole)

VP: 0.214 mm Hg (source: MPBPVP)

WS: 228 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.87 (KowWin est)

Log Kaw used: -2.991 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.861

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2465

Biowin2 (Non-Linear Model) : 0.0339

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4614 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3077 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3022

Biowin6 (MITI Non-Linear Model): 0.1613

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5595

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): 29.1 Pa (0.218 mm Hg)

Log Koa (Koawin est ): 5.861

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

Mackay model : 1.03E-007

Octanol/air (Koa) model: 1.78E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.73E-006

Mackay model : 8.26E-006

Octanol/air (Koa) model: 1.43E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 132.0673 E-12 cm3/molecule-sec

Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.972 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

5.99E-006 (Junge-Pankow, Mackay avg)

1.43E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 441 L/kg (MCI method)

Log Koc: 2.644 (MCI method)

Koc : 264.2 L/kg (Kow method)

Log Koc: 2.422 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 6.291E-002 L/mol-sec

Ka Half-Life at pH 7: 3.491 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.559 (BCF = 36.26 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7926 days (HL = 0.1612 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.546 (BCF = 35.19)

Log BAF Arnot-Gobas method (upper trophic) = 1.546 (BAF = 35.19)

log Kow used: 2.87 (estimated)

Volatilization from Water:

Henry LC: 2.5E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 31.51 hours (1.313 days)

Half-Life from Model Lake : 451.8 hours (18.83 days)

Removal In Wastewater Treatment:

Total removal: 6.00 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.57 percent

Total to Air: 1.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.108 1.94 1000

Water 18.1 900 1000

Soil 81.4 1.8e+003 1000

Sediment 0.442 8.1e+003 0

Persistence Time: 971 hr

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