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CAS Number: 26836-47-5

SMILES : O=C(OCC(C(C(C(O)CO)O)O)O)CCCCCCCCCCCCCCCCC

CHEM : D-Glucitol, monooctadecanoate

MOL FOR: C24 H48 O7

MOL WT : 448.65

------------------------------ 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) = 5.26

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

Boiling Pt (deg C): 581.29 (Adapted Stein & Brown method)

Melting Pt (deg C): 250.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.32E-016 (Modified Grain method)

VP (Pa, 25 deg C) : 1.76E-014 (Modified Grain method)

Subcooled liquid VP: 3.74E-014 mm Hg (25 deg C, Mod-Grain method)

: 4.99E-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): 0.04916

log Kow used: 5.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 240.64 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 4.40E-012 atm-m3/mole (4.46E-007 Pa-m3/mole)

Group Method: 2.39E-025 atm-m3/mole (2.42E-020 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: 1.585E-015 atm-m3/mole (1.606E-010 Pa-m3/mole)

VP: 1.32E-016 mm Hg (source: MPBPVP)

WS: 0.0492 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.26 (KowWin est)

Log Kaw used: -9.745 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.005

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.6102

Biowin2 (Non-Linear Model) : 0.9997

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4461 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3457 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.2141

Biowin6 (MITI Non-Linear Model): 0.9878

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0789

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): 4.99E-012 Pa (3.74E-014 mm Hg)

Log Koa (Koawin est ): 15.005

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

Mackay model : 6.02E+005

Octanol/air (Koa) model: 248

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 = 69.1042 E-12 cm3/molecule-sec

Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.857 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 : 2.832E+004 L/kg (MCI method)

Log Koc: 4.452 (MCI method)

Koc : 883.3 L/kg (Kow method)

Log Koc: 2.946 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.553E-002 L/mol-sec

Kb Half-Life at pH 8: 1.414 years

Kb Half-Life at pH 7: 14.145 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.762 (BCF = 57.78 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.1902 days (HL = 0.006453 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.090 (BCF = 12.3)

Log BAF Arnot-Gobas method (upper trophic) = 1.090 (BAF = 12.3)

log Kow used: 5.26 (estimated)

Volatilization from Water:

Henry LC: 4.4E-012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.818E+008 hours (1.174E+007 days)

Half-Life from Model Lake : 3.075E+009 hours (1.281E+008 days)

Removal In Wastewater Treatment:

Total removal: 84.40 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 83.67 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 0.436 3.72 1000

Water 22.1 208 1000

Soil 66.4 416 1000

Sediment 11.1 1.87e+003 0

Persistence Time: 337 hr

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