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CAS Number: 7328-34-9


CHEM : 2,4-Decadienoic acid, ethyl ester, (E,E)-

MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ 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) = 4.36

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

Boiling Pt (deg C): 258.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0173 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.31 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8.588

log Kow used: 4.36 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 21.47 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.54E-004 atm-m3/mole (7.64E+001 Pa-m3/mole)

Group Method: 1.28E-004 atm-m3/mole (1.30E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 5.203E-004 atm-m3/mole (5.272E+001 Pa-m3/mole)

VP: 0.0173 mm Hg (source: MPBPVP)

WS: 8.59 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.36 (KowWin est)

Log Kaw used: -1.511 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.871

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9367

Biowin2 (Non-Linear Model) : 0.9979

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2039 (weeks )

Biowin4 (Primary Survey Model) : 4.0626 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7446

Biowin6 (MITI Non-Linear Model): 0.8328

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3669

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): 2.29 Pa (0.0172 mm Hg)

Log Koa (Koawin est ): 5.871

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

Mackay model : 1.31E-006

Octanol/air (Koa) model: 1.82E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.72E-005

Mackay model : 0.000105

Octanol/air (Koa) model: 1.46E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 56.6527 E-12 cm3/molecule-sec

Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.266 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec

Half-Life = 0.218 Days (at 7E11 mol/cm3)

Half-Life = 5.224 Hrs

Fraction sorbed to airborne particulates (phi):

7.59E-005 (Junge-Pankow, Mackay avg)

1.46E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 711 L/kg (MCI method)

Log Koc: 2.852 (MCI method)

Koc : 1867 L/kg (Kow method)

Log Koc: 3.271 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.835E-003 L/mol-sec

Kb Half-Life at pH 8: 2.486 years

Kb Half-Life at pH 7: 24.859 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.546 (BCF = 351.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4194 days (HL = 0.3807 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.181 (BCF = 151.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.181 (BAF = 151.7)

log Kow used: 4.36 (estimated)

Volatilization from Water:

Henry LC: 0.000128 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.838 hours

Half-Life from Model Lake : 203 hours (8.458 days)

Removal In Wastewater Treatment:

Total removal: 50.66 percent

Total biodegradation: 0.45 percent

Total sludge adsorption: 47.18 percent

Total to Air: 3.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.336 2.43 1000

Water 21.1 360 1000

Soil 78 720 1000

Sediment 0.556 3.24e+003 0

Persistence Time: 423 hr

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