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CAS Num: 021662-16-8


CHEM : 2,4-Dodecadienal, (E,E)-

MOL FOR: C12 H20 O1

MOL WT : 180.29

------------------------------ 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) = 4.32

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

Boiling Pt (deg C): 263.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 11.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0134 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.79 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 11.33

log Kow used: 4.32 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 40.709 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Aldehydes

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

Bond Method : 3.88E-004 atm-m3/mole (3.93E+001 Pa-m3/mole)

Group Method: 7.92E-005 atm-m3/mole (8.02E+000 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: 2.806E-004 atm-m3/mole (2.843E+001 Pa-m3/mole)

VP: 0.0134 mm Hg (source: MPBPVP)

WS: 11.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.32 (KowWin est)

Log Kaw used: -1.800 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.120

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0548

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1214 (weeks )

Biowin4 (Primary Survey Model) : 4.0533 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9088

Biowin6 (MITI Non-Linear Model): 0.9413

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4232

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): 1.8 Pa (0.0135 mm Hg)

Log Koa (Koawin est ): 6.120

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

Mackay model : 1.67E-006

Octanol/air (Koa) model: 3.24E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.02E-005

Mackay model : 0.000133

Octanol/air (Koa) model: 2.59E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 73.2751 E-12 cm3/molecule-sec

Half-Life = 0.146 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.752 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.842400 E-17 cm3/molecule-sec

Half-Life = 1.360 Days (at 7E11 mol/cm3)

Half-Life = 32.650 Hrs

Fraction sorbed to airborne particulates (phi):

9.68E-005 (Junge-Pankow, Mackay avg)

2.59E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 218.2 L/kg (MCI method)

Log Koc: 2.339 (MCI method)

Koc : 1217 L/kg (Kow method)

Log Koc: 3.085 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.514 (BCF = 326.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3930 days (HL = 2.472 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.842 (BCF = 695.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.845 (BAF = 700.1)

log Kow used: 4.32 (estimated)

Volatilization from Water:

Henry LC: 7.92E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 11.3 hours

Half-Life from Model Lake : 235.8 hours (9.826 days)

Removal In Wastewater Treatment:

Total removal: 47.84 percent

Total biodegradation: 0.44 percent

Total sludge adsorption: 45.33 percent

Total to Air: 2.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.439 3.16 1000

Water 23.9 360 1000

Soil 75.4 720 1000

Sediment 0.243 3.24e+003 0

Persistence Time: 411 hr

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