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CAS Number: 91052-73-2


CHEM : 3-Oxotetradecanoic acid glyceride

MOL FOR: C17 H32 O5

MOL WT : 316.44

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 2.60

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

Boiling Pt (deg C): 424.61 (Adapted Stein & Brown method)

Melting Pt (deg C): 158.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.88E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 7.84E-008 (Modified Grain method)

Subcooled liquid VP: 1.37E-008 mm Hg (25 deg C, Mod-Grain method)

: 1.83E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 58.94

log Kow used: 2.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 566.72 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.73E-012 atm-m3/mole (4.79E-007 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.154E-012 atm-m3/mole (4.209E-007 Pa-m3/mole)

VP: 5.88E-010 mm Hg (source: MPBPVP)

WS: 58.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.60 (KowWin est)

Log Kaw used: -9.714 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.314

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2038

Biowin2 (Non-Linear Model) : 0.9980

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2359 (weeks )

Biowin4 (Primary Survey Model) : 4.1259 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1466

Biowin6 (MITI Non-Linear Model): 0.9850

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6563

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): 1.83E-006 Pa (1.37E-008 mm Hg)

Log Koa (Koawin est ): 12.314

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

Mackay model : 1.64

Octanol/air (Koa) model: 0.506

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.983

Mackay model : 0.992

Octanol/air (Koa) model: 0.976

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.1782 E-12 cm3/molecule-sec

Half-Life = 0.322 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.869 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.988 (Junge-Pankow, Mackay avg)

0.976 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.52 L/kg (MCI method)

Log Koc: 1.062 (MCI method)

Koc : 46.81 L/kg (Kow method)

Log Koc: 1.670 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.388E-001 L/mol-sec

Kb Half-Life at pH 8: 14.890 days

Kb Half-Life at pH 7: 148.896 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.384 (BCF = 24.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.2101 days (HL = 0.006165 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.584 (BCF = 3.839)

Log BAF Arnot-Gobas method (upper trophic) = 0.584 (BAF = 3.839)

log Kow used: 2.60 (estimated)

Volatilization from Water:

Henry LC: 4.73E-012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.202E+008 hours (9.175E+006 days)

Half-Life from Model Lake : 2.402E+009 hours (1.001E+008 days)

Removal In Wastewater Treatment:

Total removal: 3.41 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.31 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 0.0073 7.74 1000

Water 29.9 360 1000

Soil 70.1 720 1000

Sediment 0.0691 3.24e+003 0

Persistence Time: 643 hr

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