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CAS Num: 000078-93-3


CHEM : 2-Butanone


MOL WT : 72.11

------------------------------ 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) = 0.26

Log Kow (Exper. database match) = 0.29

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 70.36 (Adapted Stein & Brown method)

Melting Pt (deg C): -80.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 98.5 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.31E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -86.6 deg C

BP (exp database): 79.5 deg C

VP (exp database): 9.06E+01 mm Hg (1.21E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 7.61e+004

log Kow used: 0.29 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2.23e+005 mg/L (25 deg C)

Exper. Ref: TAFT,RW ET AL. (1985)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 96451 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.58E-005 atm-m3/mole (6.67E+000 Pa-m3/mole)

Group Method: 5.60E-005 atm-m3/mole (5.68E+000 Pa-m3/mole)

Exper Database: 5.69E-05 atm-m3/mole (5.77E+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: 1.228E-004 atm-m3/mole (1.244E+001 Pa-m3/mole)

VP: 98.5 mm Hg (source: MPBPVP)

WS: 7.61E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.29 (exp database)

Log Kaw used: -2.633 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.923

Log Koa (experimental database): 2.710

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7200

Biowin2 (Non-Linear Model) : 0.8223

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0173 (weeks )

Biowin4 (Primary Survey Model) : 3.7215 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6656

Biowin6 (MITI Non-Linear Model): 0.8514

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3110

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): 1.21E+004 Pa (90.6 mm Hg)

Log Koa (Exp database): 2.710

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

Mackay model : 2.48E-010

Octanol/air (Koa) model: 1.26E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.97E-009

Mackay model : 1.99E-008

Octanol/air (Koa) model: 1.01E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.3329 E-12 cm3/molecule-sec

Half-Life = 8.025 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 96.295 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.44E-008 (Junge-Pankow, Mackay avg)

1.01E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.51 L/kg (MCI method)

Log Koc: 0.654 (MCI method)

Koc : 19.1 L/kg (Kow method)

Log Koc: 1.281 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2985 days (HL = 0.05029 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.013 (BCF = 1.031)

Log BAF Arnot-Gobas method (upper trophic) = 0.013 (BAF = 1.031)

log Kow used: 0.29 (expkow database)

Volatilization from Water:

Henry LC: 5.69E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 9.604 hours

Half-Life from Model Lake : 176 hours (7.332 days)

Removal In Wastewater Treatment:

Total removal: 4.75 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.72 percent

Total to Air: 2.95 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 11.6 223 1000

Water 41.1 360 1000

Soil 47.2 720 1000

Sediment 0.083 3.24e+003 0

Persistence Time: 314 hr

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