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CAS Num: 067874-76-4

SMILES : O=C(Oc(ccc(c1)C)c1)CCCCCCCCC=C

CHEM : 10-Undecenoic acid, 4-methylphenyl ester

MOL FOR: C18 H26 O2

MOL WT : 274.41

------------------------------ 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) = 6.42

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

Boiling Pt (deg C): 351.04 (Adapted Stein & Brown method)

Melting Pt (deg C): 95.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.61E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00348 (Modified Grain method)

Subcooled liquid VP: 0.000125 mm Hg (25 deg C, Mod-Grain method)

: 0.0166 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.05669

log Kow used: 6.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.023938 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 6.83E-004 atm-m3/mole (6.92E+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: 1.662E-004 atm-m3/mole (1.684E+001 Pa-m3/mole)

VP: 2.61E-005 mm Hg (source: MPBPVP)

WS: 0.0567 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.42 (KowWin est)

Log Kaw used: -1.554 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.974

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8458

Biowin2 (Non-Linear Model) : 0.9774

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6581 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6123 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7277

Biowin6 (MITI Non-Linear Model): 0.7956

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2418

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.0167 Pa (0.000125 mm Hg)

Log Koa (Koawin est ): 7.974

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

Mackay model : 0.00018

Octanol/air (Koa) model: 2.31E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00646

Mackay model : 0.0142

Octanol/air (Koa) model: 0.00185

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 40.1581 E-12 cm3/molecule-sec

Half-Life = 0.266 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.196 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):

0.0103 (Junge-Pankow, Mackay avg)

0.00185 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.342E+004 L/kg (MCI method)

Log Koc: 4.370 (MCI method)

Koc : 2.574E+004 L/kg (Kow method)

Log Koc: 4.411 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.057E-001 L/mol-sec

Kb Half-Life at pH 8: 38.993 days

Kb Half-Life at pH 7: 1.068 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.529 (BCF = 338.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1908 days (HL = 1.552 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.619 (BCF = 415.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.737 (BAF = 545.2)

log Kow used: 6.42 (estimated)

Volatilization from Water:

Henry LC: 0.000683 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.11 hours

Half-Life from Model Lake : 172.8 hours (7.201 days)

Removal In Wastewater Treatment:

Total removal: 93.35 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.36 percent

Total to Air: 0.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.307 5 1000

Water 9 900 1000

Soil 80 1.8e+003 1000

Sediment 10.7 8.1e+003 0

Persistence Time: 1.07e+003 hr

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