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CAS Num: 003913-81-3

SMILES : O=CC=CCCCCCCC

CHEM : 2-DECENAL, (E)-

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.55

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

Boiling Pt (deg C): 221.95 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0782 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 10.4 (Mean VP of Antoine & Grain methods)

BP (exp database): 230 deg C

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

Water Solubility at 25 deg C (mg/L): 67.82

log Kow used: 3.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 186.7 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 : 3.07E-004 atm-m3/mole (3.11E+001 Pa-m3/mole)

Group Method: 1.81E-004 atm-m3/mole (1.84E+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: 2.340E-004 atm-m3/mole (2.371E+001 Pa-m3/mole)

VP: 0.0782 mm Hg (source: MPBPVP)

WS: 67.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.55 (KowWin est)

Log Kaw used: -1.901 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.451

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0672

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1789 (weeks )

Biowin4 (Primary Survey Model) : 4.0909 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9739

Biowin6 (MITI Non-Linear Model): 0.9698

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5702

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): 9.83 Pa (0.0737 mm Hg)

Log Koa (Koawin est ): 5.451

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

Mackay model : 3.05E-007

Octanol/air (Koa) model: 6.93E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.1E-005

Mackay model : 2.44E-005

Octanol/air (Koa) model: 5.55E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 44.1711 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 46.7551 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 2.906 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 2.745 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.091000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 0.182000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 12.593 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 6.297 Days (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

1.77E-005 (Junge-Pankow, Mackay avg)

5.55E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 65.7 L/kg (MCI method)

Log Koc: 1.818 (MCI method)

Koc : 456.5 L/kg (Kow method)

Log Koc: 2.659 (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 = 2.008 (BCF = 101.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0263 days (HL = 1.062 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.308 (BCF = 203.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.308 (BAF = 203.2)

log Kow used: 3.55 (estimated)

Volatilization from Water:

Henry LC: 0.000181 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.285 hours

Half-Life from Model Lake : 161.8 hours (6.741 days)

Removal In Wastewater Treatment:

Total removal: 20.73 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 13.51 percent

Total to Air: 7.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.26 5.7 1000

Water 28.9 360 1000

Soil 69.7 720 1000

Sediment 0.13 3.24e+003 0

Persistence Time: 316 hr

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