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CAS Number: 1188-58-5



MOL FOR: C39 H76 O5

MOL WT : 625.04

------------------------------ 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) = 15.07

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

Boiling Pt (deg C): 626.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 253.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.74E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 8.99E-015 (Modified Grain method)

Subcooled liquid VP: 2.07E-014 mm Hg (25 deg C, Mod-Grain method)

: 2.75E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.78e-011

log Kow used: 15.07 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.2504e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.33E-007 atm-m3/mole (2.36E-002 Pa-m3/mole)

Group Method: 9.96E-008 atm-m3/mole (1.01E-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: 1.160E-006 atm-m3/mole (1.175E-001 Pa-m3/mole)

VP: 6.74E-017 mm Hg (source: MPBPVP)

WS: 4.78E-011 mg/L (source: WSKOWWIN)

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

Log Kow used: 15.07 (KowWin est)

Log Kaw used: -5.021 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 20.091

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1739

Biowin2 (Non-Linear Model) : 0.9992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8550 (weeks )

Biowin4 (Primary Survey Model) : 4.0715 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.3316

Biowin6 (MITI Non-Linear Model): 0.9928

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2358

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): 2.76E-012 Pa (2.07E-014 mm Hg)

Log Koa (Koawin est ): 20.091

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

Mackay model : 1.09E+006

Octanol/air (Koa) model: 3.03E+007

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 = 53.6048 E-12 cm3/molecule-sec

Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.394 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 : 9.24E+007 L/kg (MCI method)

Log Koc: 7.966 (MCI method)

Koc : 5.226E+008 L/kg (Kow method)

Log Koc: 8.718 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.345E-002 L/mol-sec

Kb Half-Life at pH 8: 96.126 days

Kb Half-Life at pH 7: 2.632 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0996 days (HL = 12.58 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8976)

log Kow used: 15.07 (estimated)

Volatilization from Water:

Henry LC: 9.96E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.47E+004 hours (612.5 days)

Half-Life from Model Lake : 1.606E+005 hours (6690 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 0.351 4.79 1000

Water 22.5 360 1000

Soil 77.1 720 1000

Sediment 0.00105 3.24e+003 0

Persistence Time: 515 hr

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