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CAS Number: 245653-24-1



MOL FOR: C37 H74 O4

MOL WT : 583.00

------------------------------ 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) = 14.20

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

Boiling Pt (deg C): 595.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 253.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.61E-016 (Modified Grain method)

VP (Pa, 25 deg C) : 8.82E-014 (Modified Grain method)

Subcooled liquid VP: 2.02E-013 mm Hg (25 deg C, Mod-Grain method)

: 2.69E-011 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.998e-010

log Kow used: 14.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.83e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 8.63E-007 atm-m3/mole (8.74E-002 Pa-m3/mole)

Group Method: 3.46E-007 atm-m3/mole (3.50E-002 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: 1.015E-006 atm-m3/mole (1.028E-001 Pa-m3/mole)

VP: 6.61E-016 mm Hg (source: MPBPVP)

WS: 5E-010 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.20 (KowWin est)

Log Kaw used: -4.452 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 18.652

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5640

Biowin2 (Non-Linear Model) : 0.1600

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5007 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6243 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9158

Biowin6 (MITI Non-Linear Model): 0.9013

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8010

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): 2.69E-011 Pa (2.02E-013 mm Hg)

Log Koa (Koawin est ): 18.652

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

Mackay model : 1.11E+005

Octanol/air (Koa) model: 1.1E+006

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 = 70.0064 E-12 cm3/molecule-sec

Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.833 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

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 : 3.711E+007 L/kg (MCI method)

Log Koc: 7.569 (MCI method)

Koc : 1.629E+008 L/kg (Kow method)

Log Koc: 8.212 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec

Kb Half-Life at pH 8: 281.632 days

Kb Half-Life at pH 7: 7.711 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.595 (BCF = 3.935 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.6243 days (HL = 42.1 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8935)

Log BAF Arnot-Gobas method (upper trophic) = 0.155 (BAF = 1.429)

log Kow used: 14.20 (estimated)

Volatilization from Water:

Henry LC: 3.46E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4088 hours (170.3 days)

Half-Life from Model Lake : 4.48E+004 hours (1867 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 0.125 3.67 1000

Water 16.5 900 1000

Soil 83.4 1.8e+003 1000

Sediment 0.0046 8.1e+003 0

Persistence Time: 1.16e+003 hr

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