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CAS Num: 068698-57-7

SMILES : O=C(OC)C(C(C(=C(C12)C(=C)C)C)(C1)C)C2

CHEM : Bicyclo 2.2.1 hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methyle

thenyl)-, methyl ester

MOL FOR: C14 H20 O2

MOL WT : 220.31

------------------------------ 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) = 4.77

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

Boiling Pt (deg C): 268.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 61.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00469 (Modified Grain method)

VP (Pa, 25 deg C) : 0.625 (Modified Grain method)

Subcooled liquid VP: 0.0101 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.909

log Kow used: 4.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 10.332 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 6.76E-004 atm-m3/mole (6.85E+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: 4.674E-004 atm-m3/mole (4.736E+001 Pa-m3/mole)

VP: 0.00469 mm Hg (source: MPBPVP)

WS: 2.91 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.77 (KowWin est)

Log Kaw used: -1.559 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.329

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6329

Biowin2 (Non-Linear Model) : 0.9035

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6404 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6054 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5464

Biowin6 (MITI Non-Linear Model): 0.3451

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0472

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): 1.35 Pa (0.0101 mm Hg)

Log Koa (Koawin est ): 6.329

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

Mackay model : 2.23E-006

Octanol/air (Koa) model: 5.24E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.05E-005

Mackay model : 0.000178

Octanol/air (Koa) model: 4.19E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 263.9245 E-12 cm3/molecule-sec

Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 29.179 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 222.446243 E-17 cm3/molecule-sec

Half-Life = 0.005 Days (at 7E11 mol/cm3)

Half-Life = 7.419 Min

Fraction sorbed to airborne particulates (phi):

0.000129 (Junge-Pankow, Mackay avg)

4.19E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1471 L/kg (MCI method)

Log Koc: 3.168 (MCI method)

Koc : 3147 L/kg (Kow method)

Log Koc: 3.498 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.440E-005 L/mol-sec

Kb Half-Life at pH 8: 638.399 years

Kb Half-Life at pH 7: 6383.988 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.813 (BCF = 649.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3477 days (HL = 2.227 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.901 (BCF = 796.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.908 (BAF = 808.2)

log Kow used: 4.77 (estimated)

Volatilization from Water:

Henry LC: 0.000676 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.8 hours

Half-Life from Model Lake : 155 hours (6.459 days)

Removal In Wastewater Treatment:

Total removal: 72.67 percent

Total biodegradation: 0.56 percent

Total sludge adsorption: 65.32 percent

Total to Air: 6.78 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0109 0.11 1000

Water 11.6 900 1000

Soil 87.4 1.8e+003 1000

Sediment 0.954 8.1e+003 0

Persistence Time: 810 hr

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