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CAS Number: 2607-56-9
SMILES : O=C2Oc3c1c(OC(C1OC(=O)C(=CC)C)C(OC(=O)C(=CC)C)(C)C)ccc3C=C2
CHEM :
MOL FOR: C24 H26 O7
MOL WT : 426.47
------------------------------ 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) = 4.95
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 510.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 181.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.5E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 4.67E-008 (Modified Grain method)
Subcooled liquid VP: 1.5E-008 mm Hg (25 deg C, Mod-Grain method)
: 2E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1232
log Kow used: 4.95 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.16717 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.45E-012 atm-m3/mole (4.51E-007 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: 1.594E-009 atm-m3/mole (1.615E-004 Pa-m3/mole)
VP: 3.5E-010 mm Hg (source: MPBPVP)
WS: 0.123 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.95 (KowWin est)
Log Kaw used: -9.740 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.690
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0150
Biowin2 (Non-Linear Model) : 0.9999
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4071 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8430 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7838
Biowin6 (MITI Non-Linear Model): 0.4695
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3056
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): 2E-006 Pa (1.5E-008 mm Hg)
Log Koa (Koawin est ): 14.690
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.5
Octanol/air (Koa) model: 120
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.982
Mackay model : 0.992
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 111.9815 E-12 cm3/molecule-sec
Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.146 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 16.887499 E-17 cm3/molecule-sec
Half-Life = 0.068 Days (at 7E11 mol/cm3)
Half-Life = 1.629 Hrs
Fraction sorbed to airborne particulates (phi):
0.987 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.498E+004 L/kg (MCI method)
Log Koc: 4.929 (MCI method)
Koc : 3871 L/kg (Kow method)
Log Koc: 3.588 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.187E-002 L/mol-sec
Kb Half-Life at pH 8: 1.004 years
Kb Half-Life at pH 7: 10.044 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.936 (BCF = 862.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7393 days (HL = 0.01823 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.097 (BCF = 12.5)
Log BAF Arnot-Gobas method (upper trophic) = 1.097 (BAF = 12.5)
log Kow used: 4.95 (estimated)
Volatilization from Water:
Henry LC: 4.45E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.717E+008 hours (1.132E+007 days)
Half-Life from Model Lake : 2.964E+009 hours (1.235E+008 days)
Removal In Wastewater Treatment:
Total removal: 76.05 percent
Total biodegradation: 0.67 percent
Total sludge adsorption: 75.39 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 0.00164 0.952 1000
Water 6.59 900 1000
Soil 63.9 1.8e+003 1000
Sediment 29.5 8.1e+003 0
Persistence Time: 2.46e+003 hr