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CAS Number: 68067-35-6


CHEM : 9-methyldecan-2-one

MOL FOR: C11 H22 O1

MOL WT : 170.30

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 3.62

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

Boiling Pt (deg C): 212.54 (Adapted Stein & Brown method)

Melting Pt (deg C): -7.03 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.284 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 37.8 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 49.63

log Kow used: 3.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 66.473 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.78E-004 atm-m3/mole (4.84E+001 Pa-m3/mole)

Group Method: 7.56E-004 atm-m3/mole (7.66E+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: 1.282E-003 atm-m3/mole (1.299E+002 Pa-m3/mole)

VP: 0.284 mm Hg (source: MPBPVP)

WS: 49.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.62 (KowWin est)

Log Kaw used: -1.709 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.329

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6733

Biowin2 (Non-Linear Model) : 0.5343

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8004 (weeks )

Biowin4 (Primary Survey Model) : 3.5798 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5703

Biowin6 (MITI Non-Linear Model): 0.7268

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1956

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): 35.1 Pa (0.263 mm Hg)

Log Koa (Koawin est ): 5.329

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

Mackay model : 8.56E-008

Octanol/air (Koa) model: 5.24E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.09E-006

Mackay model : 6.84E-006

Octanol/air (Koa) model: 4.19E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.8170 E-12 cm3/molecule-sec

Half-Life = 0.774 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.289 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.97E-006 (Junge-Pankow, Mackay avg)

4.19E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 253.3 L/kg (MCI method)

Log Koc: 2.404 (MCI method)

Koc : 1327 L/kg (Kow method)

Log Koc: 3.123 (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 v3.01):

Log BCF from regression-based method = 2.056 (BCF = 113.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3520 days (HL = 0.4447 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.119 (BCF = 131.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.119 (BAF = 131.5)

log Kow used: 3.62 (estimated)

Volatilization from Water:

Henry LC: 0.000756 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.342 hours

Half-Life from Model Lake : 135 hours (5.624 days)

Removal In Wastewater Treatment:

Total removal: 35.14 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 14.17 percent

Total to Air: 20.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.95 18.6 1000

Water 23.2 360 1000

Soil 72.6 720 1000

Sediment 0.264 3.24e+003 0

Persistence Time: 308 hr

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