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CAS Number: 71660-03-2

SMILES : O=C(OC1C(=C)CCC(C(=C)C)C1)C

CHEM : (2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate

MOL FOR: C12 H18 O2

MOL WT : 194.28

------------------------------ 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) = 4.37

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

Boiling Pt (deg C): 239.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0466 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.21 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8.617

log Kow used: 4.37 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 54.242 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 7.66E-004 atm-m3/mole (7.76E+001 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: 1.382E-003 atm-m3/mole (1.401E+002 Pa-m3/mole)

VP: 0.0466 mm Hg (source: MPBPVP)

WS: 8.62 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.37 (KowWin est)

Log Kaw used: -1.504 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.874

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8292

Biowin2 (Non-Linear Model) : 0.9870

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9101 (weeks )

Biowin4 (Primary Survey Model) : 3.7964 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5876

Biowin6 (MITI Non-Linear Model): 0.4917

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2736

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 5.96 Pa (0.0447 mm Hg)

Log Koa (Koawin est ): 5.874

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

Mackay model : 5.03E-007

Octanol/air (Koa) model: 1.84E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.82E-005

Mackay model : 4.03E-005

Octanol/air (Koa) model: 1.47E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 113.7060 E-12 cm3/molecule-sec

Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.129 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec

Half-Life = 0.477 Days (at 7E11 mol/cm3)

Half-Life = 11.460 Hrs

Fraction sorbed to airborne particulates (phi):

2.92E-005 (Junge-Pankow, Mackay avg)

1.47E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 493 L/kg (MCI method)

Log Koc: 2.693 (MCI method)

Koc : 1891 L/kg (Kow method)

Log Koc: 3.277 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.069E-002 L/mol-sec

Kb Half-Life at pH 8: 261.386 days

Kb Half-Life at pH 7: 7.156 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.552 (BCF = 356.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2522 days (HL = 0.5596 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.335 (BCF = 216.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.335 (BAF = 216.4)

log Kow used: 4.37 (estimated)

Volatilization from Water:

Henry LC: 0.000766 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.488 hours

Half-Life from Model Lake : 144 hours (6.001 days)

Removal In Wastewater Treatment:

Total removal: 58.16 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 44.96 percent

Total to Air: 12.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.417 1.89 1000

Water 20.6 360 1000

Soil 78.6 720 1000

Sediment 0.4 3.24e+003 0

Persistence Time: 341 hr

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