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CAS Num: 001197-40-6
SMILES : o(cc1)c(c1)Cc(oc2)cc2
CHEM : FURAN, 2,2'-METHYLENEBIS-
MOL FOR: C9 H8 O2
MOL WT : 148.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 206.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 18.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.263 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 35 (Mean VP of Antoine & Grain methods)
BP (exp database): 94 @ 22 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 217.2
log Kow used: 2.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 332.19 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.78E-004 atm-m3/mole (4.84E+001 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: 2.361E-004 atm-m3/mole (2.392E+001 Pa-m3/mole)
VP: 0.263 mm Hg (source: MPBPVP)
WS: 217 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.99 (KowWin est)
Log Kaw used: -1.709 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.699
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7317
Biowin2 (Non-Linear Model) : 0.8149
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7969 (weeks )
Biowin4 (Primary Survey Model) : 3.5654 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2650
Biowin6 (MITI Non-Linear Model): 0.2395
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1417
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): 32.1 Pa (0.241 mm Hg)
Log Koa (Koawin est ): 4.699
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.34E-008
Octanol/air (Koa) model: 1.23E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.37E-006
Mackay model : 7.47E-006
Octanol/air (Koa) model: 9.82E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 200.9340 E-12 cm3/molecule-sec
Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.639 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
5.42E-006 (Junge-Pankow, Mackay avg)
9.82E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2758 L/kg (MCI method)
Log Koc: 3.441 (MCI method)
Koc : 393.2 L/kg (Kow method)
Log Koc: 2.595 (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 = 1.638 (BCF = 43.47 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2732 days (HL = 0.5331 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.845 (BCF = 69.91)
Log BAF Arnot-Gobas method (upper trophic) = 1.845 (BAF = 69.91)
log Kow used: 2.99 (estimated)
Volatilization from Water:
Henry LC: 0.000478 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.733 hours
Half-Life from Model Lake : 131.9 hours (5.495 days)
Removal In Wastewater Treatment:
Total removal: 21.82 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.95 percent
Total to Air: 16.77 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.202 1.28 1000
Water 17.6 360 1000
Soil 80.7 720 1000
Sediment 1.55 3.24e+003 0
Persistence Time: 415 hr