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CAS Num: 005953-49-1



MOL FOR: C8 H16 O2

MOL WT : 144.22

------------------------------ 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) = 2.76

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

Boiling Pt (deg C): 157.09 (Adapted Stein & Brown method)

Melting Pt (deg C): -43.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.88 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 384 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 356.7

log Kow used: 2.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 759.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.23E-004 atm-m3/mole (7.33E+001 Pa-m3/mole)

Group Method: 1.04E-003 atm-m3/mole (1.06E+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: 1.532E-003 atm-m3/mole (1.552E+002 Pa-m3/mole)

VP: 2.88 mm Hg (source: MPBPVP)

WS: 357 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.76 (KowWin est)

Log Kaw used: -1.529 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.289

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9615

Biowin2 (Non-Linear Model) : 0.9990

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3190 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1377 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7256

Biowin6 (MITI Non-Linear Model): 0.8865

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3636

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): 351 Pa (2.63 mm Hg)

Log Koa (Koawin est ): 4.289

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

Mackay model : 8.56E-009

Octanol/air (Koa) model: 4.78E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.09E-007

Mackay model : 6.84E-007

Octanol/air (Koa) model: 3.82E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.1696 E-12 cm3/molecule-sec

Half-Life = 1.309 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.711 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.97E-007 (Junge-Pankow, Mackay avg)

3.82E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 54.22 L/kg (MCI method)

Log Koc: 1.734 (MCI method)

Koc : 243.3 L/kg (Kow method)

Log Koc: 2.386 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.003E-002 L/mol-sec

Kb Half-Life at pH 8: 133.623 days

Kb Half-Life at pH 7: 3.658 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.485 (BCF = 30.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1699 days (HL = 0.06763 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.265 (BCF = 18.41)

Log BAF Arnot-Gobas method (upper trophic) = 1.265 (BAF = 18.41)

log Kow used: 2.76 (estimated)

Volatilization from Water:

Henry LC: 0.00104 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.902 hours

Half-Life from Model Lake : 121.4 hours (5.06 days)

Removal In Wastewater Treatment:

Total removal: 32.76 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 3.25 percent

Total to Air: 29.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 13.4 31.4 1000

Water 36.6 208 1000

Soil 49.9 416 1000

Sediment 0.133 1.87e+003 0

Persistence Time: 149 hr

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