This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 89-32-7
SMILES : O=C(OC(=O)c1cc(c(c2)C(=O)O3)C3(=O))c12
CHEM : 1H,3H-Benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone
MOL FOR: C10 H2 O6
MOL WT : 218.12
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 2.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 356.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 107.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.75E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000634 (Modified Grain method)
MP (exp database): 152.5 deg C
Subcooled liquid VP: 9.48E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0126 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 519.1
log Kow used: 2.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.6199e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.47E-009 atm-m3/mole (7.57E-004 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: 2.626E-009 atm-m3/mole (2.661E-004 Pa-m3/mole)
VP: 4.75E-006 mm Hg (source: MPBPVP)
WS: 519 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.14 (KowWin est)
Log Kaw used: -6.515 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.655
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6437
Biowin2 (Non-Linear Model) : 0.4779
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7171 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5330 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0797
Biowin6 (MITI Non-Linear Model): 0.0284
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6452
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): 0.0126 Pa (9.48E-005 mm Hg)
Log Koa (Koawin est ): 8.655
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000237
Octanol/air (Koa) model: 0.000111
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0085
Mackay model : 0.0186
Octanol/air (Koa) model: 0.0088
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2879 E-12 cm3/molecule-sec
Half-Life = 37.155 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0136 (Junge-Pankow, Mackay avg)
0.0088 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 21.85 L/kg (MCI method)
Log Koc: 1.340 (MCI method)
Koc : 44.69 L/kg (Kow method)
Log Koc: 1.650 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.082 (BCF = 12.08 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8347 days (HL = 0.1463 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.060 (BCF = 11.48)
Log BAF Arnot-Gobas method (upper trophic) = 1.060 (BAF = 11.48)
log Kow used: 2.14 (estimated)
Volatilization from Water:
Henry LC: 7.47E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.158E+005 hours (4823 days)
Half-Life from Model Lake : 1.263E+006 hours (5.262E+004 days)
Removal In Wastewater Treatment:
Total removal: 2.40 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.30 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 0.0804 892 1000
Water 28.5 900 1000
Soil 71.3 1.8e+003 1000
Sediment 0.0841 8.1e+003 0
Persistence Time: 1.27e+003 hr