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CAS Number: 54689-35-9
SMILES : CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCCCCCCCC)OC2C(C(C
(C(O2)CO)O)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC
CCCCCCCCCCCCCCC
CHEM :
MOL FOR: C102 H192 O16
MOL WT : 1674.66
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) = 37.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 1544.02 (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): 9.048e-038
log Kow used: 37.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.6747e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.65E-018 atm-m3/mole (3.70E-013 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]:
not available
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 37.32 (KowWin est)
Log Kaw used: -15.826 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 53.146
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6135
Biowin2 (Non-Linear Model) : 0.5465
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9329 (months )
Biowin4 (Primary Survey Model) : 4.1275 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 2.2073
Biowin6 (MITI Non-Linear Model): 0.9854
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.4739
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): -99 Pa (0 mm Hg)
Log Koa (Koawin est ): 53.146
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : not available
Octanol/air (Koa) model: 1.#J
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : not available
Mackay model : not available
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 174.1600 E-12 cm3/molecule-sec
Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.737 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Koa method)
1 (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: 22.933 (MCI method)
Koc : 2.198E+020 L/kg (Kow method)
Log Koc: 20.342 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.420E-002 L/mol-sec
Kb Half-Life at pH 8: 85.162 days
Kb Half-Life at pH 7: 2.332 years
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = 4.8111 days (HL = 6.472e+004 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: 37.32 (estimated)
Volatilization from Water:
Henry LC: 3.65E-018 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.564E+014 hours (2.735E+013 days)
Half-Life from Model Lake : 7.161E+015 hours (2.984E+014 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 9.54e-006 1.47 1000
Water 8.61 1.44e+003 1000
Soil 91.4 2.88e+003 1000
Sediment 6.61e-024 1.3e+004 0
Persistence Time: 2.88e+003 hr