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CAS Num: 010519-33-2

SMILES : O=C(C=CCCCCCC)C

CHEM : 3-Decen-2-one

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) = 3.28

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

Boiling Pt (deg C): 210.81 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.308 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 41.1 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 115.7

log Kow used: 3.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.971 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ketones

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

Bond Method : 1.69E-004 atm-m3/mole (1.71E+001 Pa-m3/mole)

Group Method: 9.09E-005 atm-m3/mole (9.21E+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: 5.403E-004 atm-m3/mole (5.475E+001 Pa-m3/mole)

VP: 0.308 mm Hg (source: MPBPVP)

WS: 116 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.28 (KowWin est)

Log Kaw used: -2.161 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.441

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7894

Biowin2 (Non-Linear Model) : 0.9011

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1341 (weeks )

Biowin4 (Primary Survey Model) : 3.8720 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6313

Biowin6 (MITI Non-Linear Model): 0.7594

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0498

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): 38 Pa (0.285 mm Hg)

Log Koa (Koawin est ): 5.441

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

Mackay model : 7.89E-008

Octanol/air (Koa) model: 6.78E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.85E-006

Mackay model : 6.32E-006

Octanol/air (Koa) model: 5.42E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 57.5661 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 64.4061 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 2.230 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.993 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.535625 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 3.071250 E-17 cm3/molecule-sec [Trans-]

Half-Life = 17.911 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 8.955 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

4.58E-006 (Junge-Pankow, Mackay avg)

5.42E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 165.2 L/kg (MCI method)

Log Koc: 2.218 (MCI method)

Koc : 860.9 L/kg (Kow method)

Log Koc: 2.935 (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 = 1.829 (BCF = 67.41 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2628 days (HL = 0.546 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.026 (BCF = 106.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.026 (BAF = 106.3)

log Kow used: 3.28 (estimated)

Volatilization from Water:

Henry LC: 9.09E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 9.267 hours

Half-Life from Model Lake : 205.2 hours (8.551 days)

Removal In Wastewater Treatment:

Total removal: 12.86 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 8.56 percent

Total to Air: 4.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.526 3.57 1000

Water 24.5 360 1000

Soil 74.8 720 1000

Sediment 0.203 3.24e+003 0

Persistence Time: 398 hr

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