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CAS Number: 945529-33-9

SMILES : CCC(C=C)OC(=O)C(C)C

CHEM : pent-1-en-3-yl 2-methylpropanoate

MOL FOR: C9 H16 O2

MOL WT : 156.23

------------------------------ 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) = 3.04

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

Boiling Pt (deg C): 164.07 (Adapted Stein & Brown method)

Melting Pt (deg C): -44.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.07 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 276 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 181.7

log Kow used: 3.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 414.35 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 : 7.15E-004 atm-m3/mole (7.25E+001 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: 2.342E-003 atm-m3/mole (2.373E+002 Pa-m3/mole)

VP: 2.07 mm Hg (source: MPBPVP)

WS: 182 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.04 (KowWin est)

Log Kaw used: -1.534 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.574

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8474

Biowin2 (Non-Linear Model) : 0.9924

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9941 (weeks )

Biowin4 (Primary Survey Model) : 3.8513 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5590

Biowin6 (MITI Non-Linear Model): 0.6975

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2429

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): 252 Pa (1.89 mm Hg)

Log Koa (Koawin est ): 4.574

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

Mackay model : 1.19E-008

Octanol/air (Koa) model: 9.2E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.3E-007

Mackay model : 9.52E-007

Octanol/air (Koa) model: 7.36E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.3700 E-12 cm3/molecule-sec

Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.965 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):

6.91E-007 (Junge-Pankow, Mackay avg)

7.36E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 92.9 L/kg (MCI method)

Log Koc: 1.968 (MCI method)

Koc : 347.6 L/kg (Kow method)

Log Koc: 2.541 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.110E-002 L/mol-sec

Kb Half-Life at pH 8: 1.978 years

Kb Half-Life at pH 7: 19.783 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.670 (BCF = 46.81 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0914 days (HL = 0.08101 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.412 (BCF = 25.81)

Log BAF Arnot-Gobas method (upper trophic) = 1.412 (BAF = 25.81)

log Kow used: 3.04 (estimated)

Volatilization from Water:

Henry LC: 0.000715 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.299 hours

Half-Life from Model Lake : 129.9 hours (5.412 days)

Removal In Wastewater Treatment:

Total removal: 27.62 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 5.17 percent

Total to Air: 22.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.21 5.89 1000

Water 32 360 1000

Soil 65.6 720 1000

Sediment 0.178 3.24e+003 0

Persistence Time: 228 hr

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