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CAS Number: 470-55-3
SMILES : O(C(C(O)C(O)C1O)CO)C1OCC(OC(OCC(OC(OC(OC(C2O)CO)(C2O)CO)C(O)C3O)C3O)C
(O)C4O)C4O
CHEM : .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galac
topyranosyl-(1.fwdarw.6)-O-.alpha.-D-galactopyran
MOL FOR: C24 H42 O21
MOL WT : 666.59
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
Water Solubility (mg/L): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -9.26
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1006.06 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.01E-033 (Modified Grain method)
VP (Pa, 25 deg C) : 8.02E-031 (Modified Grain method)
Subcooled liquid VP: 3.08E-029 mm Hg (25 deg C, Mod-Grain method)
: 4.11E-027 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -9.26 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.76E-038 atm-m3/mole (3.81E-033 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: 8.771E-037 atm-m3/mole (8.887E-032 Pa-m3/mole)
VP: 1E-030 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -9.26 (KowWin est)
Log Kaw used: -35.813 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 26.553
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0370
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.6929 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4767 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.5340
Biowin6 (MITI Non-Linear Model): 0.0394
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.3999
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): 4.11E-027 Pa (3.08E-029 mm Hg)
Log Koa (Koawin est ): 26.553
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.31E+020
Octanol/air (Koa) model: 8.77E+013
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 = 244.5643 E-12 cm3/molecule-sec
Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.525 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 : 824.6 L/kg (MCI method)
Log Koc: 2.916 (MCI method)
Koc : 2.218E-006 L/kg (Kow method)
Log Koc: -5.654 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -6.9500 days (HL = 1.122e-007 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: -9.26 (estimated)
Volatilization from Water:
Henry LC: 3.76E-038 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.02E+034 hours (1.675E+033 days)
Half-Life from Model Lake : 4.386E+035 hours (1.827E+034 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 1.01e-007 1.05 1000
Water 18.4 208 1000
Soil 81.2 416 1000
Sediment 0.389 1.87e+003 0
Persistence Time: 465 hr