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CAS Num: 026446-38-8
SMILES : O=C(OCC(OC(OC(OC(C(O)C1O)CO)C1O)(C2O)CO)C2O)CCCCCCCCCCCCCCC
CHEM : .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl, monohexadecanoat
e
MOL FOR: C28 H52 O12
MOL WT : 580.72
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.40
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 759.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 334.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.68E-024 (Modified Grain method)
VP (Pa, 25 deg C) : 1.02E-021 (Modified Grain method)
Subcooled liquid VP: 2.45E-020 mm Hg (25 deg C, Mod-Grain method)
: 3.27E-018 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.2706
log Kow used: 3.40 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.511e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.54E-021 atm-m3/mole (1.56E-016 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: 2.169E-023 atm-m3/mole (2.197E-018 Pa-m3/mole)
VP: 7.68E-024 mm Hg (source: MPBPVP)
WS: 0.271 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.40 (KowWin est)
Log Kaw used: -19.201 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 22.601
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6388
Biowin2 (Non-Linear Model) : 0.0293
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2361 (weeks )
Biowin4 (Primary Survey Model) : 4.2314 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.4683
Biowin6 (MITI Non-Linear Model): 0.8319
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1914
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): 3.27E-018 Pa (2.45E-020 mm Hg)
Log Koa (Koawin est ): 22.601
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.18E+011
Octanol/air (Koa) model: 9.79E+009
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 = 131.1048 E-12 cm3/molecule-sec
Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.979 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 : 1.152E+004 L/kg (MCI method)
Log Koc: 4.062 (MCI method)
Koc : 44.2 L/kg (Kow method)
Log Koc: 1.645 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec
Kb Half-Life at pH 8: 129.295 days
Kb Half-Life at pH 7: 3.540 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.908 (BCF = 80.83 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.7276 days (HL = 0.001872 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.811 (BCF = 6.474)
Log BAF Arnot-Gobas method (upper trophic) = 0.811 (BAF = 6.474)
log Kow used: 3.40 (estimated)
Volatilization from Water:
Henry LC: 1.54E-021 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.162E+017 hours (3.817E+016 days)
Half-Life from Model Lake : 9.995E+018 hours (4.164E+017 days)
Removal In Wastewater Treatment:
Total removal: 10.95 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 10.78 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 0.153 1.96 1000
Water 21.1 360 1000
Soil 71.5 720 1000
Sediment 7.21 3.24e+003 0
Persistence Time: 532 hr