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CAS Num: 068039-39-4

SMILES : O=C(OC(C(C(C(C12)C=C3)C3)C1)C2)C(C)C

CHEM : Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-ind

en-6-yl 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) = 3.76

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

Boiling Pt (deg C): 273.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 45.30 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00502 (Modified Grain method)

VP (Pa, 25 deg C) : 0.67 (Modified Grain method)

Subcooled liquid VP: 0.00769 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 21.27

log Kow used: 3.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2917 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.98E-004 atm-m3/mole (3.02E+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: 6.842E-005 atm-m3/mole (6.932E+000 Pa-m3/mole)

VP: 0.00502 mm Hg (source: MPBPVP)

WS: 21.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.76 (KowWin est)

Log Kaw used: -1.914 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.674

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8168

Biowin2 (Non-Linear Model) : 0.9813

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8525 (weeks )

Biowin4 (Primary Survey Model) : 3.7588 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4844

Biowin6 (MITI Non-Linear Model): 0.2092

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3731

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): 1.03 Pa (0.00769 mm Hg)

Log Koa (Koawin est ): 5.674

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

Mackay model : 2.93E-006

Octanol/air (Koa) model: 1.16E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000106

Mackay model : 0.000234

Octanol/air (Koa) model: 9.27E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 68.1981 E-12 cm3/molecule-sec

Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.882 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

0.00017 (Junge-Pankow, Mackay avg)

9.27E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1988 L/kg (MCI method)

Log Koc: 3.298 (MCI method)

Koc : 869.5 L/kg (Kow method)

Log Koc: 2.939 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.090E-002 L/mol-sec

Kb Half-Life at pH 8: 2.015 years

Kb Half-Life at pH 7: 20.146 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.145 (BCF = 139.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2122 days (HL = 0.6135 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.258 (BCF = 181)

Log BAF Arnot-Gobas method (upper trophic) = 2.258 (BAF = 181)

log Kow used: 3.76 (estimated)

Volatilization from Water:

Henry LC: 0.000298 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.431 hours

Half-Life from Model Lake : 172.8 hours (7.2 days)

Removal In Wastewater Treatment:

Total removal: 29.14 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 19.15 percent

Total to Air: 9.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.153 1.01 1000

Water 18.6 360 1000

Soil 80.1 720 1000

Sediment 1.21 3.24e+003 0

Persistence Time: 419 hr

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