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CAS Number: 28474-90-0
SMILES : O=C1OC(C(OC(=O)CCCCCCCCCCCCCCC)=C1O)C(OC(=O)CCCCCCCCCCCCCCC)CO
CHEM :
MOL FOR: C38 H68 O8
MOL WT : 652.96
------------------------------ EPI SUMMARY (v4.10) --------------------------
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 v1.68 estimate) = 11.26
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 739.85 (Adapted Stein & Brown method)
Melting Pt (deg C): 324.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.2E-022 (Modified Grain method)
VP (Pa, 25 deg C) : 4.27E-020 (Modified Grain method)
Subcooled liquid VP: 7.74E-019 mm Hg (25 deg C, Mod-Grain method)
: 1.03E-016 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.656e-008
log Kow used: 11.26 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.5296e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Esters
Vinyl/Allyl Alcohols
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.81E-007 atm-m3/mole (4.88E-002 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: 4.861E-015 atm-m3/mole (4.925E-010 Pa-m3/mole)
VP: 3.2E-022 mm Hg (source: MPBPVP)
WS: 5.66E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.26 (KowWin est)
Log Kaw used: -4.706 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.966
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.4935
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0935 (weeks )
Biowin4 (Primary Survey Model) : 4.3896 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.5187
Biowin6 (MITI Non-Linear Model): 0.9950
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.4499
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): 1.03E-016 Pa (7.74E-019 mm Hg)
Log Koa (Koawin est ): 15.966
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.91E+010
Octanol/air (Koa) model: 2.27E+003
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 = 87.1980 E-12 cm3/molecule-sec
Half-Life = 0.123 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.472 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
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 : 1.167E+007 L/kg (MCI method)
Log Koc: 7.067 (MCI method)
Koc : 1.582E+006 L/kg (Kow method)
Log Koc: 6.199 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.761E-002 L/mol-sec
Kb Half-Life at pH 8: 213.294 days
Kb Half-Life at pH 7: 5.840 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.441 (BCF = 27.59 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0747 days (HL = 0.0842 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8939)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8939)
log Kow used: 11.26 (estimated)
Volatilization from Water:
Henry LC: 4.81E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3113 hours (129.7 days)
Half-Life from Model Lake : 3.417E+004 hours (1424 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 0.221 2.62 1000
Water 23.1 360 1000
Soil 75.8 720 1000
Sediment 0.873 3.24e+003 0
Persistence Time: 497 hr