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CAS Num: 068092-41-1

SMILES : O=C(OCC(CC)CC)CC(=CCC1)C1

CHEM : 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester

MOL FOR: C13 H22 O2

MOL WT : 210.32

------------------------------ 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) = 4.94

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

Boiling Pt (deg C): 266.32 (Adapted Stein & Brown method)

Melting Pt (deg C): 30.35 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0103 (Modified Grain method)

VP (Pa, 25 deg C) : 1.37 (Modified Grain method)

Subcooled liquid VP: 0.0114 mm Hg (25 deg C, Mod-Grain method)

: 1.53 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 2.342

log Kow used: 4.94 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12.794 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.36E-003 atm-m3/mole (1.38E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.217E-003 atm-m3/mole (1.233E+002 Pa-m3/mole)

VP: 0.0103 mm Hg (source: MPBPVP)

WS: 2.34 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.94 (KowWin est)

Log Kaw used: -1.255 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.195

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8216

Biowin2 (Non-Linear Model) : 0.9837

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8746 (weeks )

Biowin4 (Primary Survey Model) : 3.7733 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6434

Biowin6 (MITI Non-Linear Model): 0.7850

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3533

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): 1.52 Pa (0.0114 mm Hg)

Log Koa (Koawin est ): 6.195

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

Mackay model : 1.97E-006

Octanol/air (Koa) model: 3.85E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.13E-005

Mackay model : 0.000158

Octanol/air (Koa) model: 3.08E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.6448 E-12 cm3/molecule-sec

Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.314 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000115 (Junge-Pankow, Mackay avg)

3.08E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1220 L/kg (MCI method)

Log Koc: 3.086 (MCI method)

Koc : 3908 L/kg (Kow method)

Log Koc: 3.592 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.072E-001 L/mol-sec

Kb Half-Life at pH 8: 74.814 days

Kb Half-Life at pH 7: 2.048 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.926 (BCF = 843.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5355 days (HL = 0.2914 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.083 (BCF = 121.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.083 (BAF = 121.2)

log Kow used: 4.94 (estimated)

Volatilization from Water:

Henry LC: 0.00136 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.104 hours

Half-Life from Model Lake : 144.6 hours (6.023 days)

Removal In Wastewater Treatment:

Total removal: 79.72 percent

Total biodegradation: 0.58 percent

Total sludge adsorption: 70.23 percent

Total to Air: 8.91 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.109 0.514 1000

Water 18.7 360 1000

Soil 80.5 720 1000

Sediment 0.781 3.24e+003 0

Persistence Time: 357 hr

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