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: 3387-26-6
SMILES : o(cc1C(=O)O)cc1C(=O)O
CHEM : 3,4-FURANDICARBOXYLIC ACID
MOL FOR: C6 H4 O5
MOL WT : 156.10
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 1.13
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 330.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 118.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.54E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00605 (Modified Grain method)
Subcooled liquid VP: 0.00038 mm Hg (25 deg C, Mod-Grain method)
: 0.0507 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7795
log Kow used: 1.13 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 14837 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.18E-012 atm-m3/mole (2.21E-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: 1.196E-009 atm-m3/mole (1.212E-004 Pa-m3/mole)
VP: 4.54E-005 mm Hg (source: MPBPVP)
WS: 7.8E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.13 (KowWin est)
Log Kaw used: -10.050 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.180
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0270
Biowin2 (Non-Linear Model) : 0.9964
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0300 (weeks )
Biowin4 (Primary Survey Model) : 3.6380 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0181
Biowin6 (MITI Non-Linear Model): 0.9589
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1764
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): 0.0507 Pa (0.00038 mm Hg)
Log Koa (Koawin est ): 11.180
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.92E-005
Octanol/air (Koa) model: 0.0372
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00213
Mackay model : 0.00471
Octanol/air (Koa) model: 0.748
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.1311 E-12 cm3/molecule-sec
Half-Life = 2.085 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 25.015 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00342 (Junge-Pankow, Mackay avg)
0.748 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 44.37 L/kg (MCI method)
Log Koc: 1.647 (MCI method)
Koc : 6.036 L/kg (Kow method)
Log Koc: 0.781 (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 v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4158 days (HL = 0.03839 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.234 (BCF = 1.715)
Log BAF Arnot-Gobas method (upper trophic) = 0.234 (BAF = 1.715)
log Kow used: 1.13 (estimated)
Volatilization from Water:
Henry LC: 2.18E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.356E+008 hours (1.398E+007 days)
Half-Life from Model Lake : 3.661E+009 hours (1.525E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.81 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 4.18e-005 50 1000
Water 22.4 360 1000
Soil 77.5 720 1000
Sediment 0.0822 3.24e+003 0
Persistence Time: 713 hr