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CAS Number: 85536-06-7


CHEM : Glycerides, C8-18

MOL FOR: C27 H50 O6

MOL WT : 470.70

------------------------------ 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) = 9.20

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

Boiling Pt (deg C): 470.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 112.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0669 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 8.91 (Mean VP of Antoine & Grain methods)

MP (exp database): 10 deg C

BP (exp database): 233 deg C

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

Water Solubility at 25 deg C (mg/L): 1.524e-005

log Kow used: 9.20 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.4 mg/L (37 deg C)

Exper. Ref: FUNASAKI,N ET AL. (1976)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6091e-005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.87E-007 atm-m3/mole (2.91E-002 Pa-m3/mole)

Group Method: 2.56E-008 atm-m3/mole (2.60E-003 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: 2.719E+003 atm-m3/mole (2.755E+008 Pa-m3/mole)

VP: 0.0669 mm Hg (source: MPBPVP)

WS: 1.52E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.20 (KowWin est)

Log Kaw used: -4.931 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.131

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.3713

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4746 (days-weeks )

Biowin4 (Primary Survey Model) : 4.6627 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.2819

Biowin6 (MITI Non-Linear Model): 0.9920

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5137

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): 8.44 Pa (0.0633 mm Hg)

Log Koa (Koawin est ): 14.131

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

Mackay model : 3.55E-007

Octanol/air (Koa) model: 33.2

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.28E-005

Mackay model : 2.84E-005

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.3456 E-12 cm3/molecule-sec

Half-Life = 0.352 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.230 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.06E-005 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.297E+006 L/kg (MCI method)

Log Koc: 6.361 (MCI method)

Koc : 7.633E+005 L/kg (Kow method)

Log Koc: 5.883 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.201E-001 L/mol-sec

Kb Half-Life at pH 8: 25.063 days

Kb Half-Life at pH 7: 250.627 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.448 (BCF = 280.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0671 days (HL = 0.08569 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.000 (BCF = 0.9996)

Log BAF Arnot-Gobas method (upper trophic) = 0.001 (BAF = 1.001)

log Kow used: 9.20 (estimated)

Volatilization from Water:

Henry LC: 2.56E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.962E+004 hours (2068 days)

Half-Life from Model Lake : 5.415E+005 hours (2.256E+004 days)

Removal In Wastewater Treatment:

Total removal: 94.03 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 0.424 8.46 1000

Water 18.8 208 1000

Soil 71.3 416 1000

Sediment 9.46 1.87e+003 0

Persistence Time: 412 hr

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