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CAS Num: 000116-09-6


CHEM : 2-Propanone, 1-hydroxy-


MOL WT : 74.08

------------------------------ 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) = -0.78

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

Boiling Pt (deg C): 135.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -36.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.74 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 232 (Mean VP of Antoine & Grain methods)

MP (exp database): -17 deg C

BP (exp database): 145.5 deg C

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.78 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2033e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

a-,b-Ketone alcohol

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

Bond Method : 7.73E-006 atm-m3/mole (7.83E-001 Pa-m3/mole)

Group Method: 8.48E-009 atm-m3/mole (8.59E-004 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: 1.696E-007 atm-m3/mole (1.719E-002 Pa-m3/mole)

VP: 1.74 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.78 (KowWin est)

Log Kaw used: -3.500 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.720

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8778

Biowin2 (Non-Linear Model) : 0.9322

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1730 (weeks )

Biowin4 (Primary Survey Model) : 3.8481 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8205

Biowin6 (MITI Non-Linear Model): 0.9354

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5234

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): 208 Pa (1.56 mm Hg)

Log Koa (Koawin est ): 2.720

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

Mackay model : 1.44E-008

Octanol/air (Koa) model: 1.29E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.21E-007

Mackay model : 1.15E-006

Octanol/air (Koa) model: 1.03E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.6938 E-12 cm3/molecule-sec

Half-Life = 3.971 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 47.648 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.37E-007 (Junge-Pankow, Mackay avg)

1.03E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 1.896 L/kg (Kow method)

Log Koc: 0.278 (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) = -1.9397 days (HL = 0.01149 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8986)

Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8986)

log Kow used: -0.78 (estimated)

Volatilization from Water:

Henry LC: 7.73E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 66.07 hours (2.753 days)

Half-Life from Model Lake : 792.9 hours (33.04 days)

Removal In Wastewater Treatment:

Total removal: 2.27 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.43 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.83 85 1000

Water 45.2 360 1000

Soil 48.9 720 1000

Sediment 0.0846 3.24e+003 0

Persistence Time: 351 hr

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