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CAS Num: 028369-24-6


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

MOL FOR: C14 H24 O2

MOL WT : 224.35

------------------------------ 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) = 5.35

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

Boiling Pt (deg C): 290.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 18.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00319 (Modified Grain method)

VP (Pa, 25 deg C) : 0.425 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.889

log Kow used: 5.35 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.0692 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.33E-003 atm-m3/mole (1.35E+002 Pa-m3/mole)

Group Method: 2.56E-004 atm-m3/mole (2.60E+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: 1.059E-003 atm-m3/mole (1.073E+002 Pa-m3/mole)

VP: 0.00319 mm Hg (source: MPBPVP)

WS: 0.889 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.35 (KowWin est)

Log Kaw used: -1.265 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.615

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0318

Biowin2 (Non-Linear Model) : 0.9995

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4403 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2912 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7599

Biowin6 (MITI Non-Linear Model): 0.8395

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1012

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): 0.425 Pa (0.00319 mm Hg)

Log Koa (Koawin est ): 6.615

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

Mackay model : 7.05E-006

Octanol/air (Koa) model: 1.01E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000255

Mackay model : 0.000564

Octanol/air (Koa) model: 8.09E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 59.5583 E-12 cm3/molecule-sec

Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.155 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):

0.000409 (Junge-Pankow, Mackay avg)

8.09E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2361 L/kg (MCI method)

Log Koc: 3.373 (MCI method)

Koc : 6588 L/kg (Kow method)

Log Koc: 3.819 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.497E-003 L/mol-sec

Kb Half-Life at pH 8: 2.929 years

Kb Half-Life at pH 7: 29.295 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.819 (BCF = 65.99 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1069 days (HL = 0.7817 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.495 (BCF = 312.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.498 (BAF = 314.8)

log Kow used: 5.35 (estimated)

Volatilization from Water:

Henry LC: 0.000256 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.954 hours

Half-Life from Model Lake : 179.6 hours (7.485 days)

Removal In Wastewater Treatment:

Total removal: 86.36 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 84.64 percent

Total to Air: 1.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.52 2.36 1000

Water 22.8 208 1000

Soil 75.5 416 1000

Sediment 1.13 1.87e+003 0

Persistence Time: 261 hr

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