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CAS Number: 156057-52-2
SMILES : O=C(OC6C(O)C(OC(=O)C(C)CC)C(OC6OC3C2OC1OC(C(OC(=O)C(C)CC)C(OC(=O)C(C)
C)C1O)COC5OC(C(O)C(O)C5OC(=O)CCCCCCCCCC(OC4OC(CO)C(O)C(O)C4OC3OC(CO)C
2O)CCCCC)CO)C)C(C)CC
CHEM :
MOL FOR: C65 H110 O30
MOL WT : 1371.58
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) = 3.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1513.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0 (Modified Grain method)
VP (Pa, 25 deg C) : 0 (Modified Grain method)
Subcooled liquid VP: 0 mm Hg (25 deg C, Mod-Grain method)
: 0 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8.179e-007
log Kow used: 3.55 (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:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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]:
not available
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.8124
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6805 (weeks-months)
Biowin4 (Primary Survey Model) : 4.4798 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7928
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.2409
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Insufficient Data Available.
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 246.6924 E-12 cm3/molecule-sec
Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.520 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.977 (Junge-Pankow, Mackay avg)
0.706 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 12.865 (MCI method)
Koc : 19.97 L/kg (Kow method)
Log Koc: 1.300 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.377E-002 L/mol-sec
Kb Half-Life at pH 8: 237.526 days
Kb Half-Life at pH 7: 6.503 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.012 (BCF = 102.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.6638 days (HL = 0.0002169 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.818 (BCF = 6.575)
Log BAF Arnot-Gobas method (upper trophic) = 0.818 (BAF = 6.575)
log Kow used: 3.55 (estimated)
Volatilization from Water:
Henry LC: 2.21E-009 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 9.827E+005 hours (4.095E+004 days)
Half-Life from Model Lake : 1.072E+007 hours (4.467E+005 days)
Removal In Wastewater Treatment:
Total removal: 14.22 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 14.03 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 0.0148 1.04 1000
Water 1.76 900 1000
Soil 28.2 1.8e+003 1000
Sediment 70 8.1e+003 0
Persistence Time: 3.19e+003 hr