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CAS Num: 006175-49-1

SMILES : O=C(CCCCCCCCCC)C

CHEM : 2-Dodecanone

MOL FOR: C12 H24 O1

MOL WT : 184.32

------------------------------ 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) = 4.18

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

Boiling Pt (deg C): 242.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 14.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0527 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7.03 (Mean VP of Antoine & Grain methods)

MP (exp database): 21 deg C

BP (exp database): 246.5 deg C

VP (exp database): 2.06E-02 mm Hg (2.75E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 13.99

log Kow used: 4.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12.467 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.35E-004 atm-m3/mole (6.43E+001 Pa-m3/mole)

Group Method: 8.88E-004 atm-m3/mole (9.00E+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: 9.136E-004 atm-m3/mole (9.257E+001 Pa-m3/mole)

VP: 0.0527 mm Hg (source: MPBPVP)

WS: 14 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.18 (KowWin est)

Log Kaw used: -1.586 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.766

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7751

Biowin2 (Non-Linear Model) : 0.8559

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0677 (weeks )

Biowin4 (Primary Survey Model) : 3.8287 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7271

Biowin6 (MITI Non-Linear Model): 0.8746

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2012

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): 2.75 Pa (0.0206 mm Hg)

Log Koa (Koawin est ): 5.766

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

Mackay model : 1.09E-006

Octanol/air (Koa) model: 1.43E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.94E-005

Mackay model : 8.74E-005

Octanol/air (Koa) model: 1.15E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.2384 E-12 cm3/molecule-sec

Half-Life = 0.702 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.423 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.34E-005 (Junge-Pankow, Mackay avg)

1.15E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 548.7 L/kg (MCI method)

Log Koc: 2.739 (MCI method)

Koc : 2709 L/kg (Kow method)

Log Koc: 3.433 (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 = 1.054 (BCF = 11.32 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1616 days (HL = 0.6893 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.392 (BCF = 246.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.393 (BAF = 246.9)

log Kow used: 4.18 (estimated)

Volatilization from Water:

Henry LC: 0.000888 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.281 hours

Half-Life from Model Lake : 138.7 hours (5.78 days)

Removal In Wastewater Treatment:

Total removal: 52.32 percent

Total biodegradation: 0.32 percent

Total sludge adsorption: 34.90 percent

Total to Air: 17.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.04 16.8 1000

Water 20 360 1000

Soil 76.6 720 1000

Sediment 0.424 3.24e+003 0

Persistence Time: 348 hr

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