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CAS Number:

SMILES : CCC(C)C(=O)OC1CC2(CC2C1=C)C(C)C

CHEM :

MOL FOR: C15 H24 O2

MOL WT : 236.36

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 5.56

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

Boiling Pt (deg C): 266.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00622 (Modified Grain method)

VP (Pa, 25 deg C) : 0.829 (Modified Grain method)

Subcooled liquid VP: 0.0116 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.5057

log Kow used: 5.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.513 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 8.98E-004 atm-m3/mole (9.10E+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: 3.825E-003 atm-m3/mole (3.876E+002 Pa-m3/mole)

VP: 0.00622 mm Hg (source: MPBPVP)

WS: 0.506 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.56 (KowWin est)

Log Kaw used: -1.435 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.995

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6253

Biowin2 (Non-Linear Model) : 0.8817

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6049 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5823 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4468

Biowin6 (MITI Non-Linear Model): 0.2945

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2585

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): 1.55 Pa (0.0116 mm Hg)

Log Koa (Koawin est ): 6.995

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

Mackay model : 1.94E-006

Octanol/air (Koa) model: 2.43E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.01E-005

Mackay model : 0.000155

Octanol/air (Koa) model: 0.000194

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 59.7575 E-12 cm3/molecule-sec

Half-Life = 0.179 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.148 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):

0.000113 (Junge-Pankow, Mackay avg)

0.000194 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2700 L/kg (MCI method)

Log Koc: 3.431 (MCI method)

Koc : 8608 L/kg (Kow method)

Log Koc: 3.935 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.373E-004 L/mol-sec

Kb Half-Life at pH 8: 65.117 years

Kb Half-Life at pH 7: 651.166 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.333 (BCF = 2153 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1907 days (HL = 1.551 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.774 (BCF = 594.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.793 (BAF = 621.5)

log Kow used: 5.56 (estimated)

Volatilization from Water:

Henry LC: 0.000898 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.571 hours

Half-Life from Model Lake : 157 hours (6.54 days)

Removal In Wastewater Treatment:

Total removal: 89.46 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 86.83 percent

Total to Air: 1.90 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.319 3.62 1000

Water 10.6 900 1000

Soil 87.5 1.8e+003 1000

Sediment 1.61 8.1e+003 0

Persistence Time: 855 hr

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