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CAS Number: 82933-91-3


CHEM : D-Glucopyranoside, methyl, 2,6-di-9-octadecenoate, (Z,Z)-

MOL FOR: C43 H78 O8

MOL WT : 723.10

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 13.98

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

Boiling Pt (deg C): 741.94 (Adapted Stein & Brown method)

Melting Pt (deg C): 325.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.64E-022 (Modified Grain method)

VP (Pa, 25 deg C) : 3.52E-020 (Modified Grain method)

Subcooled liquid VP: 6.58E-019 mm Hg (25 deg C, Mod-Grain method)

: 8.77E-017 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 2.817e-011

log Kow used: 13.98 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.231e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.43E-013 atm-m3/mole (4.49E-008 Pa-m3/mole)

Group Method: 1.02E-017 atm-m3/mole (1.03E-012 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: 8.917E-012 atm-m3/mole (9.035E-007 Pa-m3/mole)

VP: 2.64E-022 mm Hg (source: MPBPVP)

WS: 2.82E-011 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.98 (KowWin est)

Log Kaw used: -10.742 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 24.722

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5913

Biowin2 (Non-Linear Model) : 0.4910

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7809 (weeks )

Biowin4 (Primary Survey Model) : 4.0400 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0949

Biowin6 (MITI Non-Linear Model): 0.5787

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7135

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): 8.77E-017 Pa (6.58E-019 mm Hg)

Log Koa (Koawin est ): 24.722

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

Mackay model : 3.42E+010

Octanol/air (Koa) model: 1.29E+012

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 = 203.8268 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 219.0268 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.630 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.586 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

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 : 4.238E+006 L/kg (MCI method)

Log Koc: 6.627 (MCI method)

Koc : 3.331E+007 L/kg (Kow method)

Log Koc: 7.523 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.271E-002 L/mol-sec

Kb Half-Life at pH 8: 127.932 days

Kb Half-Life at pH 7: 3.503 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.702 (BCF = 5.04 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1789 days (HL = 15.1 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)

Log BAF Arnot-Gobas method (upper trophic) = -0.008 (BAF = 0.9821)

log Kow used: 13.98 (estimated)

Volatilization from Water:

Henry LC: 4.43E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.554E+009 hours (1.481E+008 days)

Half-Life from Model Lake : 3.877E+010 hours (1.615E+009 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 0.0572 0.575 1000

Water 24.4 360 1000

Soil 75.5 720 1000

Sediment 0.00064 3.24e+003 0

Persistence Time: 468 hr

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