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CAS Num: 067689-50-3

SMILES : O=C(OC(C(OC(C=C)(C1)C)C1)(C)C)C

CHEM : 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, acetate

MOL FOR: C12 H20 O3

MOL WT : 212.29

------------------------------ 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) = 2.99

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

Boiling Pt (deg C): 242.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 40.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0278 (Modified Grain method)

VP (Pa, 25 deg C) : 3.71 (Modified Grain method)

Subcooled liquid VP: 0.0381 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 105.3

log Kow used: 2.99 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 897.5 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Ethers

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

Bond Method : 8.19E-007 atm-m3/mole (8.30E-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: 7.374E-005 atm-m3/mole (7.472E+000 Pa-m3/mole)

VP: 0.0278 mm Hg (source: MPBPVP)

WS: 105 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.99 (KowWin est)

Log Kaw used: -4.475 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.465

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1054

Biowin2 (Non-Linear Model) : 0.0572

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4373 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4538 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6331

Biowin6 (MITI Non-Linear Model): 0.5102

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6572

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): 5.08 Pa (0.0381 mm Hg)

Log Koa (Koawin est ): 7.465

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

Mackay model : 5.91E-007

Octanol/air (Koa) model: 7.16E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.13E-005

Mackay model : 4.72E-005

Octanol/air (Koa) model: 0.000573

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 42.0888 E-12 cm3/molecule-sec

Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.050 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

3.43E-005 (Junge-Pankow, Mackay avg)

0.000573 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 93.45 L/kg (MCI method)

Log Koc: 1.971 (MCI method)

Koc : 264.7 L/kg (Kow method)

Log Koc: 2.423 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.610E-002 L/mol-sec

Kb Half-Life at pH 8: 174.013 days

Kb Half-Life at pH 7: 4.764 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.641 (BCF = 43.76 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0605 days (HL = 0.087 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.422 (BCF = 26.43)

Log BAF Arnot-Gobas method (upper trophic) = 1.422 (BAF = 26.43)

log Kow used: 2.99 (estimated)

Volatilization from Water:

Henry LC: 8.19E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1043 hours (43.46 days)

Half-Life from Model Lake : 1.15E+004 hours (479.2 days)

Removal In Wastewater Treatment:

Total removal: 5.65 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.48 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.291 5.87 1000

Water 24.9 900 1000

Soil 74.7 1.8e+003 1000

Sediment 0.159 8.1e+003 0

Persistence Time: 908 hr

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