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CAS Num: 001576-85-8

SMILES : CC(=O)OCCCC=C

CHEM : 4-Penten-1-yl acetate

MOL FOR: C7 H12 O2

MOL WT : 128.17

------------------------------ 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) = 2.20

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

Boiling Pt (deg C): 146.72 (Adapted Stein & Brown method)

Melting Pt (deg C): -45.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.67 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 622 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1233

log Kow used: 2.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1435.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 4.06E-004 atm-m3/mole (4.11E+001 Pa-m3/mole)

Group Method: 1.41E-004 atm-m3/mole (1.43E+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: 6.387E-004 atm-m3/mole (6.472E+001 Pa-m3/mole)

VP: 4.67 mm Hg (source: MPBPVP)

WS: 1.23E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.20 (KowWin est)

Log Kaw used: -1.780 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.980

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8607

Biowin2 (Non-Linear Model) : 0.9949

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0561 (weeks )

Biowin4 (Primary Survey Model) : 3.8918 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8418

Biowin6 (MITI Non-Linear Model): 0.9349

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7858

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): 571 Pa (4.28 mm Hg)

Log Koa (Koawin est ): 3.980

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

Mackay model : 5.26E-009

Octanol/air (Koa) model: 2.34E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.9E-007

Mackay model : 4.21E-007

Octanol/air (Koa) model: 1.88E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.7421 E-12 cm3/molecule-sec

Half-Life = 0.348 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.175 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):

3.05E-007 (Junge-Pankow, Mackay avg)

1.88E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 33.79 L/kg (MCI method)

Log Koc: 1.529 (MCI method)

Koc : 119.2 L/kg (Kow method)

Log Koc: 2.076 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec

Kb Half-Life at pH 8: 175.623 days

Kb Half-Life at pH 7: 4.808 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.119 (BCF = 13.16 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3356 days (HL = 0.04618 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.901 (BCF = 7.97)

Log BAF Arnot-Gobas method (upper trophic) = 0.901 (BAF = 7.97)

log Kow used: 2.20 (estimated)

Volatilization from Water:

Henry LC: 0.000141 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.856 hours

Half-Life from Model Lake : 158.8 hours (6.617 days)

Removal In Wastewater Treatment:

Total removal: 8.89 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.26 percent

Total to Air: 6.54 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.15 4.7 1000

Water 33.6 360 1000

Soil 65.2 720 1000

Sediment 0.109 3.24e+003 0

Persistence Time: 293 hr

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