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CAS Num: 000112-07-2

SMILES : O=C(OCCOCCCC)C

CHEM : Ethanol, 2-butoxy-, acetate

MOL FOR: C8 H16 O3

MOL WT : 160.21

------------------------------ 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) = 1.57

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

Boiling Pt (deg C): 191.62 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.537 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 71.5 (Mean VP of Antoine & Grain methods)

MP (exp database): -63 deg C

BP (exp database): 192 deg C

VP (exp database): 3.75E-01 mm Hg (5.00E+001 Pa) at 20 deg C

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

Water Solubility at 25 deg C (mg/L): 3103

log Kow used: 1.57 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 9000 mg/L (20 deg C)

Exper. Ref: BEILSTEIN

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9476.1 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 6.38E-006 atm-m3/mole (6.46E-001 Pa-m3/mole)

Group Method: 6.74E-007 atm-m3/mole (6.83E-002 Pa-m3/mole)

Exper Database: 5.46E-06 atm-m3/mole (5.53E-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: 3.648E-005 atm-m3/mole (3.696E+000 Pa-m3/mole)

VP: 0.537 mm Hg (source: MPBPVP)

WS: 3.1E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.57 (KowWin est)

Log Kaw used: -3.651 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.221

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6065

Biowin2 (Non-Linear Model) : 0.9619

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2750 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1049 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8286

Biowin6 (MITI Non-Linear Model): 0.9188

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4038

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): 50 Pa (0.375 mm Hg)

Log Koa (Koawin est ): 5.221

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

Mackay model : 6E-008

Octanol/air (Koa) model: 4.08E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.17E-006

Mackay model : 4.8E-006

Octanol/air (Koa) model: 3.27E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.2328 E-12 cm3/molecule-sec

Half-Life = 0.504 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.045 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.48E-006 (Junge-Pankow, Mackay avg)

3.27E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 15.08 L/kg (MCI method)

Log Koc: 1.179 (MCI method)

Koc : 43.38 L/kg (Kow method)

Log Koc: 1.637 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec

Kb Half-Life at pH 8: 30.478 days

Kb Half-Life at pH 7: 304.777 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.704 (BCF = 5.061 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6033 days (HL = 0.02493 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.410 (BCF = 2.573)

Log BAF Arnot-Gobas method (upper trophic) = 0.410 (BAF = 2.573)

log Kow used: 1.57 (estimated)

Volatilization from Water:

Henry LC: 5.46E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 137 hours (5.709 days)

Half-Life from Model Lake : 1601 hours (66.7 days)

Removal In Wastewater Treatment:

Total removal: 2.30 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.90 percent

Total to Air: 0.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.07 12.1 1000

Water 35.8 208 1000

Soil 62 416 1000

Sediment 0.0821 1.87e+003 0

Persistence Time: 252 hr

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