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CAS Number: 28267-33-6



MOL FOR: C21 H40 O4

MOL WT : 356.55

------------------------------ 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) = 7.77

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

Boiling Pt (deg C): 381.60 (Adapted Stein & Brown method)

Melting Pt (deg C): 24.80 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.32E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00309 (Modified Grain method)

MP (exp database): -8 deg C

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

Water Solubility at 25 deg C (mg/L): 0.001305

log Kow used: 7.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0015169 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 3.89E-005 atm-m3/mole (3.94E+000 Pa-m3/mole)

Group Method: 1.04E-005 atm-m3/mole (1.06E+000 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: 8.340E-003 atm-m3/mole (8.451E+002 Pa-m3/mole)

VP: 2.32E-005 mm Hg (source: MPBPVP)

WS: 0.00131 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.77 (KowWin est)

Log Kaw used: -2.799 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.569

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1430

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2883 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3294 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1798

Biowin6 (MITI Non-Linear Model): 0.9886

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8270

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): 0.00309 Pa (2.32E-005 mm Hg)

Log Koa (Koawin est ): 10.569

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

Mackay model : 0.00097

Octanol/air (Koa) model: 0.0091

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0338

Mackay model : 0.072

Octanol/air (Koa) model: 0.421

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.5642 E-12 cm3/molecule-sec

Half-Life = 0.474 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.688 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0529 (Junge-Pankow, Mackay avg)

0.421 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.327E+004 L/kg (MCI method)

Log Koc: 4.367 (MCI method)

Koc : 1.235E+005 L/kg (Kow method)

Log Koc: 5.092 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.834E-002 L/mol-sec

Kb Half-Life at pH 8: 165.940 days

Kb Half-Life at pH 7: 4.543 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.150 (BCF = 1411 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6144 days (HL = 0.243 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.928 (BCF = 8.474)

Log BAF Arnot-Gobas method (upper trophic) = 0.957 (BAF = 9.065)

log Kow used: 7.77 (estimated)

Volatilization from Water:

Henry LC: 1.04E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 108.2 hours (4.51 days)

Half-Life from Model Lake : 1339 hours (55.79 days)

Removal In Wastewater Treatment:

Total removal: 94.00 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.22 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 1.57 11.4 1000

Water 26.1 208 1000

Soil 69.5 416 1000

Sediment 2.84 1.87e+003 0

Persistence Time: 293 hr

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