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CAS Num: 030361-29-6


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

MOL FOR: C11 H18 O1

MOL WT : 166.27

------------------------------ 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) = 3.82

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

Boiling Pt (deg C): 245.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 1.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0339 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.52 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 34.73

log Kow used: 3.82 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 129.28 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 : 2.92E-004 atm-m3/mole (2.96E+001 Pa-m3/mole)

Group Method: 5.60E-005 atm-m3/mole (5.68E+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: 2.135E-004 atm-m3/mole (2.164E+001 Pa-m3/mole)

VP: 0.0339 mm Hg (source: MPBPVP)

WS: 34.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.82 (KowWin est)

Log Kaw used: -1.923 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.743

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0615

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1524 (weeks )

Biowin4 (Primary Survey Model) : 4.0736 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9011

Biowin6 (MITI Non-Linear Model): 0.9399

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3972

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): 4.37 Pa (0.0328 mm Hg)

Log Koa (Koawin est ): 5.743

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

Mackay model : 6.86E-007

Octanol/air (Koa) model: 1.36E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.48E-005

Mackay model : 5.49E-005

Octanol/air (Koa) model: 1.09E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 71.8621 E-12 cm3/molecule-sec

Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.786 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):

3.98E-005 (Junge-Pankow, Mackay avg)

1.09E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 119.7 L/kg (MCI method)

Log Koc: 2.078 (MCI method)

Koc : 643.8 L/kg (Kow method)

Log Koc: 2.809 (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 = 2.190 (BCF = 154.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2539 days (HL = 1.794 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.560 (BCF = 363.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.561 (BAF = 363.8)

log Kow used: 3.82 (estimated)

Volatilization from Water:

Henry LC: 5.6E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 14.8 hours

Half-Life from Model Lake : 269.5 hours (11.23 days)

Removal In Wastewater Treatment:

Total removal: 24.55 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 22.04 percent

Total to Air: 2.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.449 3.22 1000

Water 26.1 360 1000

Soil 73.3 720 1000

Sediment 0.172 3.24e+003 0

Persistence Time: 403 hr

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