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CAS Num: 001604-34-8


CHEM : 2-Undecanone, 6,10-dimethyl-

MOL FOR: C13 H26 O1

MOL WT : 198.35

------------------------------ 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) = 4.53

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

Boiling Pt (deg C): 238.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.37 (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)

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

Water Solubility at 25 deg C (mg/L): 6.049

log Kow used: 4.53 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 10.942 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.43E-004 atm-m3/mole (8.54E+001 Pa-m3/mole)

Group Method: 1.81E-003 atm-m3/mole (1.84E+002 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: 3.374E-003 atm-m3/mole (3.419E+002 Pa-m3/mole)

VP: 0.0782 mm Hg (source: MPBPVP)

WS: 6.05 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.53 (KowWin est)

Log Kaw used: -1.463 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.993

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6599

Biowin2 (Non-Linear Model) : 0.4351

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7384 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5393 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4366

Biowin6 (MITI Non-Linear Model): 0.5220

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0499

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 10 Pa (0.075 mm Hg)

Log Koa (Koawin est ): 5.993

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

Mackay model : 3E-007

Octanol/air (Koa) model: 2.42E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.08E-005

Mackay model : 2.4E-005

Octanol/air (Koa) model: 1.93E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.9193 E-12 cm3/molecule-sec

Half-Life = 0.632 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.586 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.74E-005 (Junge-Pankow, Mackay avg)

1.93E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 740.5 L/kg (MCI method)

Log Koc: 2.870 (MCI method)

Koc : 4230 L/kg (Kow method)

Log Koc: 3.626 (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 = 2.655 (BCF = 452.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0907 days (HL = 0.8114 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.494 (BCF = 311.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.494 (BAF = 312)

log Kow used: 4.53 (estimated)

Volatilization from Water:

Henry LC: 0.00181 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.893 hours

Half-Life from Model Lake : 138.7 hours (5.781 days)

Removal In Wastewater Treatment:

Total removal: 70.24 percent

Total biodegradation: 0.41 percent

Total sludge adsorption: 50.20 percent

Total to Air: 19.63 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.41 15.2 1000

Water 16.7 900 1000

Soil 80.2 1.8e+003 1000

Sediment 0.681 8.1e+003 0

Persistence Time: 513 hr

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