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CAS Number: 56519-71-2



MOL FOR: C19 H36 O4

MOL WT : 328.50

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 6.79

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

Boiling Pt (deg C): 358.39 (Adapted Stein & Brown method)

Melting Pt (deg C): 3.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.34E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0111 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01328

log Kow used: 6.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.016574 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.20E-005 atm-m3/mole (2.23E+000 Pa-m3/mole)

Group Method: 5.23E-006 atm-m3/mole (5.30E-001 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: 2.714E-003 atm-m3/mole (2.750E+002 Pa-m3/mole)

VP: 8.34E-005 mm Hg (source: MPBPVP)

WS: 0.0133 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.79 (KowWin est)

Log Kaw used: -3.046 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.836

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1564

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3503 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3699 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1644

Biowin6 (MITI Non-Linear Model): 0.9881

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7750

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): 0.0111 Pa (8.34E-005 mm Hg)

Log Koa (Koawin est ): 9.836

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

Mackay model : 0.00027

Octanol/air (Koa) model: 0.00168

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00965

Mackay model : 0.0211

Octanol/air (Koa) model: 0.119

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.7381 E-12 cm3/molecule-sec

Half-Life = 0.542 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.503 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0154 (Junge-Pankow, Mackay avg)

0.119 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7006 L/kg (MCI method)

Log Koc: 3.845 (MCI method)

Koc : 3.545E+004 L/kg (Kow method)

Log Koc: 4.550 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.063E-001 L/mol-sec

Kb Half-Life at pH 8: 75.431 days

Kb Half-Life at pH 7: 2.065 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.772 (BCF = 591.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8927 days (HL = 0.128 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.388 (BCF = 24.45)

Log BAF Arnot-Gobas method (upper trophic) = 1.390 (BAF = 24.56)

log Kow used: 6.79 (estimated)

Volatilization from Water:

Henry LC: 5.23E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 204.7 hours (8.531 days)

Half-Life from Model Lake : 2386 hours (99.4 days)

Removal In Wastewater Treatment:

Total removal: 93.73 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.95 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 1.79 13 1000

Water 26.2 208 1000

Soil 69.4 416 1000

Sediment 2.69 1.87e+003 0

Persistence Time: 292 hr

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