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CAS Num: 007493-76-7

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

CHEM : 10-Undecenoic acid, 2-propenyl ester

MOL FOR: C14 H24 O2

MOL WT : 224.35

------------------------------ 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) = 5.50

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

Boiling Pt (deg C): 278.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0057 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.759 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 0.6526

log Kow used: 5.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.45264 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 : 2.20E-003 atm-m3/mole (2.23E+002 Pa-m3/mole)

Group Method: 1.14E-003 atm-m3/mole (1.16E+002 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: 2.578E-003 atm-m3/mole (2.613E+002 Pa-m3/mole)

VP: 0.0057 mm Hg (source: MPBPVP)

WS: 0.653 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.50 (KowWin est)

Log Kaw used: -1.046 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.546

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8149

Biowin2 (Non-Linear Model) : 0.9802

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8436 (weeks )

Biowin4 (Primary Survey Model) : 3.7530 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8703

Biowin6 (MITI Non-Linear Model): 0.9263

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8007

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): 0.797 Pa (0.00598 mm Hg)

Log Koa (Koawin est ): 6.546

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

Mackay model : 3.76E-006

Octanol/air (Koa) model: 8.63E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000136

Mackay model : 0.000301

Octanol/air (Koa) model: 6.9E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 64.0776 E-12 cm3/molecule-sec

Half-Life = 0.167 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.003 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec

Half-Life = 0.477 Days (at 7E11 mol/cm3)

Half-Life = 11.460 Hrs

Fraction sorbed to airborne particulates (phi):

0.000218 (Junge-Pankow, Mackay avg)

6.9E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2361 L/kg (MCI method)

Log Koc: 3.373 (MCI method)

Koc : 7975 L/kg (Kow method)

Log Koc: 3.902 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.171E-002 L/mol-sec

Kb Half-Life at pH 8: 98.171 days

Kb Half-Life at pH 7: 2.688 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.923 (BCF = 83.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3710 days (HL = 0.4256 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.229 (BCF = 169.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.231 (BAF = 170)

log Kow used: 5.50 (estimated)

Volatilization from Water:

Henry LC: 0.00114 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.298 hours

Half-Life from Model Lake : 150.7 hours (6.277 days)

Removal In Wastewater Treatment:

Total removal: 88.97 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 85.60 percent

Total to Air: 2.66 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.519 2.97 1000

Water 17.2 360 1000

Soil 81 720 1000

Sediment 1.29 3.24e+003 0

Persistence Time: 392 hr

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