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CAS Number: 151484-64-9

SMILES : CCCCCCCCCCCCC=CCCC1C(O1)CCCCCCCCCCCCC2=CC(OC2(=O))C

CHEM :

MOL FOR: C35 H62 O3

MOL WT : 530.88

------------------------------ 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) = 12.95

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

Boiling Pt (deg C): 598.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 252.80 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.6E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 3.46E-011 (Modified Grain method)

Subcooled liquid VP: 7.86E-011 mm Hg (25 deg C, Mod-Grain method)

: 1.05E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.915e-009

log Kow used: 12.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.3088e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Epoxides, mono

Esters

Vinyl/Allyl Esters

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

Bond Method : 4.01E-004 atm-m3/mole (4.06E+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: 4.639E-005 atm-m3/mole (4.700E+000 Pa-m3/mole)

VP: 2.6E-013 mm Hg (source: MPBPVP)

WS: 3.91E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.95 (KowWin est)

Log Kaw used: -1.785 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.735

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4301

Biowin2 (Non-Linear Model) : 0.1155

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4559 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5701 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7701

Biowin6 (MITI Non-Linear Model): 0.5030

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8213

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): 1.05E-008 Pa (7.86E-011 mm Hg)

Log Koa (Koawin est ): 14.735

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

Mackay model : 286

Octanol/air (Koa) model: 133

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 124.1216 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 131.7216 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.034 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.974 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.393749 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 27.393749 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.349 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.004 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.517E+008 L/kg (MCI method)

Log Koc: 8.181 (MCI method)

Koc : 8.549E+007 L/kg (Kow method)

Log Koc: 7.932 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 3.868E-001 L/mol-sec

Ka Half-Life at pH 7: 207.387 days

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.206 (BCF = 16.07 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7628 days (HL = 57.91 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9043)

Log BAF Arnot-Gobas method (upper trophic) = 1.258 (BAF = 18.12)

log Kow used: 12.95 (estimated)

Volatilization from Water:

Henry LC: 0.000401 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.715 hours

Half-Life from Model Lake : 255.5 hours (10.65 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0346 0.816 1000

Water 17.4 900 1000

Soil 82.2 1.8e+003 1000

Sediment 0.354 8.1e+003 0

Persistence Time: 1.08e+003 hr

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