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CAS Number: 148019-46-9
SMILES : CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1cc(c(cc1C(=O)O)C(=O)OC(COC(=O)C(
=C)C)COC(=O)C(=C)C)C(=O)O
CHEM :
MOL FOR: C32 H34 O16
MOL WT : 674.62
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.33
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 740.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 324.70 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.78E-018 (Modified Grain method)
VP (Pa, 25 deg C) : 7.7E-016 (Modified Grain method)
Subcooled liquid VP: 1.4E-014 mm Hg (25 deg C, Mod-Grain method)
: 1.87E-012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0104
log Kow used: 4.33 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.049793 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters-acid
Methacrylates-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.22E-027 atm-m3/mole (4.27E-022 Pa-m3/mole)
Group Method: 3.38E-029 atm-m3/mole (3.42E-024 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.933E-016 atm-m3/mole (4.999E-011 Pa-m3/mole)
VP: 5.78E-018 mm Hg (source: MPBPVP)
WS: 0.0104 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.33 (KowWin est)
Log Kaw used: -24.763 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 29.093
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.8252
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7254 (weeks-months)
Biowin4 (Primary Survey Model) : 4.2637 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.6854
Biowin6 (MITI Non-Linear Model): 0.9908
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0733
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): 1.87E-012 Pa (1.4E-014 mm Hg)
Log Koa (Koawin est ): 29.093
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.61E+006
Octanol/air (Koa) model: 3.04E+016
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 = 90.3642 E-12 cm3/molecule-sec
Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.420 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 4.550000 E-17 cm3/molecule-sec
Half-Life = 0.252 Days (at 7E11 mol/cm3)
Half-Life = 6.045 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 : 9.636E+007 L/kg (MCI method)
Log Koc: 7.984 (MCI method)
Koc : 262.8 L/kg (Kow method)
Log Koc: 2.420 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.073E+000 L/mol-sec
Kb Half-Life at pH 8: 7.479 days
Kb Half-Life at pH 7: 74.788 days
(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) = -4.9092 days (HL = 1.233e-005 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
log Kow used: 4.33 (estimated)
Volatilization from Water:
Henry LC: 3.38E-029 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.499E+025 hours (1.875E+024 days)
Half-Life from Model Lake : 4.908E+026 hours (2.045E+025 days)
Removal In Wastewater Treatment:
Total removal: 46.89 percent
Total biodegradation: 0.45 percent
Total sludge adsorption: 46.44 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 1.88e-014 1.93 1000
Water 1.49 900 1000
Soil 39.7 1.8e+003 1000
Sediment 58.9 8.1e+003 0
Persistence Time: 4.15e+003 hr