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CAS Number: 156057-51-1
SMILES : O=C(OC6C(O)C(OC(=O)C(C)CC)C(OC6OC3C2OC1OC(C(OC(=O)C(C)CC)C(OC(=O)C(C)
CC)C1O)COC5OC(C(O)C(O)C5OC(=O)CCCCCCCCCC(OC4OC(CO)C(O)C(O)C4OC3OC(CO)
C2O)CCCCC)CO)C)C(C)CC
CHEM :
MOL FOR: C66 H112 O30
MOL WT : 1385.61
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) = 4.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1525.44 (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): 2.487e-007
log Kow used: 4.05 (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) : -0.8191
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6495 (weeks-months)
Biowin4 (Primary Survey Model) : 4.4596 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8005
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.2149
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 = 226.0549 E-12 cm3/molecule-sec
Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.568 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: 13.145 (MCI method)
Koc : 37.76 L/kg (Kow method)
Log Koc: 1.577 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.310E-002 L/mol-sec
Kb Half-Life at pH 8: 242.389 days
Kb Half-Life at pH 7: 6.636 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.962 (BCF = 9.159 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.5246 days (HL = 0.0002988 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.097 (BCF = 12.51)
Log BAF Arnot-Gobas method (upper trophic) = 1.097 (BAF = 12.51)
log Kow used: 4.05 (estimated)
Volatilization from Water:
Henry LC: 7.33E-009 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 2.973E+005 hours (1.239E+004 days)
Half-Life from Model Lake : 3.244E+006 hours (1.351E+005 days)
Removal In Wastewater Treatment:
Total removal: 32.40 percent
Total biodegradation: 0.34 percent
Total sludge adsorption: 32.06 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 0.0161 1.14 1000
Water 1.76 900 1000
Soil 28.3 1.8e+003 1000
Sediment 70 8.1e+003 0
Persistence Time: 3.19e+003 hr