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CAS Number: 91744-20-6


CHEM : Glycerides, C16-18 and C18-unsatd. mono-, di- and tri-

MOL FOR: C19 H38 O4

MOL WT : 330.51

------------------------------ 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) = 5.63

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

Boiling Pt (deg C): 425.15 (Adapted Stein & Brown method)

Melting Pt (deg C): 149.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.13E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 9.51E-008 (Modified Grain method)

Subcooled liquid VP: 1.32E-008 mm Hg (25 deg C, Mod-Grain method)

: 1.76E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.1252

log Kow used: 5.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.2721 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.18E-008 atm-m3/mole (2.21E-003 Pa-m3/mole)

Group Method: 6.14E-012 atm-m3/mole (6.23E-007 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: 2.477E-009 atm-m3/mole (2.509E-004 Pa-m3/mole)

VP: 7.13E-010 mm Hg (source: MPBPVP)

WS: 0.125 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.63 (KowWin est)

Log Kaw used: -6.050 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.680

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1903

Biowin2 (Non-Linear Model) : 0.9985

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2273 (weeks )

Biowin4 (Primary Survey Model) : 4.1278 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1353

Biowin6 (MITI Non-Linear Model): 0.9857

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1262

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): 1.76E-006 Pa (1.32E-008 mm Hg)

Log Koa (Koawin est ): 11.680

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

Mackay model : 1.7

Octanol/air (Koa) model: 0.117

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.984

Mackay model : 0.993

Octanol/air (Koa) model: 0.904

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.0404 E-12 cm3/molecule-sec

Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.663 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.988 (Junge-Pankow, Mackay avg)

0.904 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 321 L/kg (MCI method)

Log Koc: 2.507 (MCI method)

Koc : 1415 L/kg (Kow method)

Log Koc: 3.151 (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 = 2.010 (BCF = 102.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0617 days (HL = 0.08676 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.542 (BCF = 34.81)

Log BAF Arnot-Gobas method (upper trophic) = 1.542 (BAF = 34.81)

log Kow used: 5.63 (estimated)

Volatilization from Water:

Henry LC: 2.18E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.883E+004 hours (2034 days)

Half-Life from Model Lake : 5.328E+005 hours (2.22E+004 days)

Removal In Wastewater Treatment:

Total removal: 89.71 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 88.96 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 0.465 7.32 1000

Water 22.8 360 1000

Soil 76.4 720 1000

Sediment 0.307 3.24e+003 0

Persistence Time: 529 hr

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