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CAS Number: 57576-09-7

SMILES : O=C(OC(C(C(=C)C)CCC1C)C1)C

CHEM : Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, [1R-(1a,2 ,5a)]

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MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ EPI SUMMARY (v4.00) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.38

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

Boiling Pt (deg C): 239.13 (Adapted Stein & Brown method)

Melting Pt (deg C): 1.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0123 (Modified Grain method)

VP (Pa, 25 deg C) : 1.65 (Modified Grain method)

MP (exp database): 85 deg C

Subcooled liquid VP: 0.0464 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 8.307

log Kow used: 4.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 54.014 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 8.71E-004 atm-m3/mole (8.82E+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: 3.824E-004 atm-m3/mole (3.875E+001 Pa-m3/mole)

VP: 0.0123 mm Hg (source: MPBPVP)

WS: 8.31 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.38 (KowWin est)

Log Kaw used: -1.448 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.828

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8283

Biowin2 (Non-Linear Model) : 0.9866

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9056 (weeks )

Biowin4 (Primary Survey Model) : 3.7935 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5820

Biowin6 (MITI Non-Linear Model): 0.4358

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3805

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): 6.19 Pa (0.0464 mm Hg)

Log Koa (Koawin est ): 5.828

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

Mackay model : 4.85E-007

Octanol/air (Koa) model: 1.65E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.75E-005

Mackay model : 3.88E-005

Octanol/air (Koa) model: 1.32E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 66.5507 E-12 cm3/molecule-sec

Half-Life = 0.161 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.929 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

2.82E-005 (Junge-Pankow, Mackay avg)

1.32E-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 : 1915 L/kg (Kow method)

Log Koc: 3.282 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec

Kb Half-Life at pH 8: 266.184 days

Kb Half-Life at pH 7: 7.288 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.557 (BCF = 360.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1953 days (HL = 0.6379 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.387 (BCF = 243.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.387 (BAF = 243.8)

log Kow used: 4.38 (estimated)

Volatilization from Water:

Henry LC: 0.000871 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.371 hours

Half-Life from Model Lake : 143.3 hours (5.973 days)

Removal In Wastewater Treatment:

Total removal: 59.45 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 45.13 percent

Total to Air: 13.92 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.743 3.3 1000

Water 20.8 360 1000

Soil 78 720 1000

Sediment 0.404 3.24e+003 0

Persistence Time: 334 hr

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