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CAS Number: 25168-73-4
SMILES : O2C(CO)C(O)C(O)C(O)C2OC1(CO)OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C1O
CHEM : a-D-Glucopyranoside, -D-fructofuranosyl, monooctadecanoate
MOL FOR: C30 H56 O12
MOL WT : 608.77
------------------------------ 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) = 4.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 783.18 (Adapted Stein & Brown method)
Melting Pt (deg C): 344.88 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.37E-025 (Modified Grain method)
VP (Pa, 25 deg C) : 1.12E-022 (Modified Grain method)
Subcooled liquid VP: 3.7E-021 mm Hg (25 deg C, Mod-Grain method)
: 4.93E-019 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.02569
log Kow used: 4.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 22197 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.71E-021 atm-m3/mole (2.74E-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: 2.610E-023 atm-m3/mole (2.644E-018 Pa-m3/mole)
VP: 8.37E-025 mm Hg (source: MPBPVP)
WS: 0.0257 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.38 (KowWin est)
Log Kaw used: -18.955 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 23.335
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6254
Biowin2 (Non-Linear Model) : 0.0199
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1741 (weeks )
Biowin4 (Primary Survey Model) : 4.1909 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.4836
Biowin6 (MITI Non-Linear Model): 0.8386
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2434
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): 4.93E-019 Pa (3.7E-021 mm Hg)
Log Koa (Koawin est ): 23.335
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.08E+012
Octanol/air (Koa) model: 5.31E+010
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 = 133.9309 E-12 cm3/molecule-sec
Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.958 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 : 3.827E+004 L/kg (MCI method)
Log Koc: 4.583 (MCI method)
Koc : 154 L/kg (Kow method)
Log Koc: 2.188 (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 = 1.181 (BCF = 15.18 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4493 days (HL = 0.003554 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
log Kow used: 4.38 (estimated)
Volatilization from Water:
Henry LC: 2.71E-021 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.331E+017 hours (2.221E+016 days)
Half-Life from Model Lake : 5.815E+018 hours (2.423E+017 days)
Removal In Wastewater Treatment:
Total removal: 49.60 percent
Total biodegradation: 0.47 percent
Total sludge adsorption: 49.12 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 0.14 1.92 1000
Water 17.9 360 1000
Soil 62.7 720 1000
Sediment 19.3 3.24e+003 0
Persistence Time: 591 hr