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CAS Num: 067634-00-8

SMILES : O=C(OCC=C)COCCC(C)C

CHEM : Acetic acid, (3-methylbutoxy)-, 2-propenyl ester

MOL FOR: C10 H18 O3

MOL WT : 186.25

------------------------------ 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) = 2.34

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

Boiling Pt (deg C): 217.66 (Adapted Stein & Brown method)

Melting Pt (deg C): -4.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.148 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 19.7 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 510.7

log Kow used: 2.34 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1610.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 5.93E-005 atm-m3/mole (6.01E+000 Pa-m3/mole)

Group Method: 2.18E-005 atm-m3/mole (2.21E+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: 7.102E-005 atm-m3/mole (7.196E+000 Pa-m3/mole)

VP: 0.148 mm Hg (source: MPBPVP)

WS: 511 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.34 (KowWin est)

Log Kaw used: -2.615 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.955

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4857

Biowin2 (Non-Linear Model) : 0.7338

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9191 (weeks )

Biowin4 (Primary Survey Model) : 3.7982 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6696

Biowin6 (MITI Non-Linear Model): 0.7739

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3091

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): 18.3 Pa (0.137 mm Hg)

Log Koa (Koawin est ): 4.955

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

Mackay model : 1.64E-007

Octanol/air (Koa) model: 2.21E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.93E-006

Mackay model : 1.31E-005

Octanol/air (Koa) model: 1.77E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 43.3100 E-12 cm3/molecule-sec

Half-Life = 0.247 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.964 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

9.54E-006 (Junge-Pankow, Mackay avg)

1.77E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 44.11 L/kg (MCI method)

Log Koc: 1.644 (MCI method)

Koc : 115.7 L/kg (Kow method)

Log Koc: 2.063 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.653E+000 L/mol-sec

Kb Half-Life at pH 8: 2.196 days

Kb Half-Life at pH 7: 21.957 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.214 (BCF = 16.36 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3857 days (HL = 0.04115 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.950 (BCF = 8.904)

Log BAF Arnot-Gobas method (upper trophic) = 0.950 (BAF = 8.904)

log Kow used: 2.34 (estimated)

Volatilization from Water:

Henry LC: 5.93E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 14.87 hours

Half-Life from Model Lake : 276.6 hours (11.53 days)

Removal In Wastewater Treatment:

Total removal: 5.68 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.56 percent

Total to Air: 3.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.777 4.71 1000

Water 30.9 360 1000

Soil 68.2 720 1000

Sediment 0.113 3.24e+003 0

Persistence Time: 359 hr

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