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CAS Number: 565-69-5


CHEM : 2-Methyl-3-pentanone

MOL FOR: C6 H12 O1

MOL WT : 100.16

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 1.16

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

Boiling Pt (deg C): 104.57 (Adapted Stein & Brown method)

Melting Pt (deg C): -66.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 24.7 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.29E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 113.5 deg C

VP (exp database): 1.81E+01 mm Hg (2.41E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.182e+004

log Kow used: 1.16 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.55e+004 mg/L (25 deg C)

Exper. Ref: SUZUKI,T (1991)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18934 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.16E-004 atm-m3/mole (1.17E+001 Pa-m3/mole)

Group Method: 1.73E-004 atm-m3/mole (1.75E+001 Pa-m3/mole)

Exper Database: 1.54E-04 atm-m3/mole (1.56E+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: 2.754E-004 atm-m3/mole (2.790E+001 Pa-m3/mole)

VP: 24.7 mm Hg (source: MPBPVP)

WS: 1.18E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.16 (KowWin est)

Log Kaw used: -2.201 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.361

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7067

Biowin2 (Non-Linear Model) : 0.7565

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9553 (weeks )

Biowin4 (Primary Survey Model) : 3.6810 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5319

Biowin6 (MITI Non-Linear Model): 0.7017

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0656

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): 2.41E+003 Pa (18.1 mm Hg)

Log Koa (Koawin est ): 3.361

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

Mackay model : 1.24E-009

Octanol/air (Koa) model: 5.64E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.49E-008

Mackay model : 9.94E-008

Octanol/air (Koa) model: 4.51E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.7467 E-12 cm3/molecule-sec

Half-Life = 2.855 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 34.257 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.22E-008 (Junge-Pankow, Mackay avg)

4.51E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 13.46 L/kg (MCI method)

Log Koc: 1.129 (MCI method)

Koc : 57.85 L/kg (Kow method)

Log Koc: 1.762 (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 = 0.436 (BCF = 2.726 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0477 days (HL = 0.08959 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.318 (BCF = 2.078)

Log BAF Arnot-Gobas method (upper trophic) = 0.318 (BAF = 2.078)

log Kow used: 1.16 (estimated)

Volatilization from Water:

Henry LC: 0.000154 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 4.826 hours

Half-Life from Model Lake : 136.6 hours (5.69 days)

Removal In Wastewater Treatment:

Total removal: 8.88 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.70 percent

Total to Air: 7.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 10.6 68.5 1000

Water 38.2 360 1000

Soil 51.1 720 1000

Sediment 0.0915 3.24e+003 0

Persistence Time: 267 hr

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