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CAS Number: 5340-78-3

SMILES : CCOC(=O)CC(C)(C)C

CHEM :

MOL FOR: C8 H16 O2

MOL WT : 144.22

------------------------------ 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) = 2.72

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

Boiling Pt (deg C): 148.39 (Adapted Stein & Brown method)

Melting Pt (deg C): -37.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.32 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 576 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 384

log Kow used: 2.72 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1115.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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: 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: 2.135E-003 atm-m3/mole (2.163E+002 Pa-m3/mole)

VP: 4.32 mm Hg (source: MPBPVP)

WS: 384 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.72 (KowWin est)

Log Kaw used: -1.529 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.249

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6691

Biowin2 (Non-Linear Model) : 0.9650

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8086 (weeks )

Biowin4 (Primary Survey Model) : 3.7152 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7949

Biowin6 (MITI Non-Linear Model): 0.8951

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4074

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): 527 Pa (3.95 mm Hg)

Log Koa (Koawin est ): 4.249

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

Mackay model : 5.7E-009

Octanol/air (Koa) model: 4.36E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.06E-007

Mackay model : 4.56E-007

Octanol/air (Koa) model: 3.48E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.5197 E-12 cm3/molecule-sec

Half-Life = 4.245 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 50.940 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.31E-007 (Junge-Pankow, Mackay avg)

3.48E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 42.17 L/kg (MCI method)

Log Koc: 1.625 (MCI method)

Koc : 231.2 L/kg (Kow method)

Log Koc: 2.364 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.825E-003 L/mol-sec

Kb Half-Life at pH 8: 5.742 years

Kb Half-Life at pH 7: 57.424 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.460 (BCF = 28.84 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1018 days (HL = 0.0791 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.295 (BCF = 19.71)

Log BAF Arnot-Gobas method (upper trophic) = 1.295 (BAF = 19.71)

log Kow used: 2.72 (estimated)

Volatilization from Water:

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

Half-Life from Model River: 2.155 hours

Half-Life from Model Lake : 124.2 hours (5.175 days)

Removal In Wastewater Treatment:

Total removal: 27.09 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 3.22 percent

Total to Air: 23.78 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 19.6 102 1000

Water 35.2 360 1000

Soil 45.1 720 1000

Sediment 0.126 3.24e+003 0

Persistence Time: 210 hr

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