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 Num: 000101-84-8
SMILES : O(c(cccc1)c1)c(cccc2)c2
CHEM : Benzene, 1,1'-oxybis-
MOL FOR: C12 H10 O1
MOL WT : 170.21
------------------------------ 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) = 4.05
Log Kow (Exper. database match) = 4.21
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 269.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 35.35 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.017 (Modified Grain method)
VP (Pa, 25 deg C) : 2.26 (Modified Grain method)
MP (exp database): 26.8 deg C
BP (exp database): 258.0 deg C
VP (exp database): 2.25E-02 mm Hg (3.00E+000 Pa) at 25 deg C
Subcooled liquid VP: 0.0234 mm Hg (25 deg C, exp database VP )
: 3.13 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 15.58
log Kow used: 4.21 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 18 mg/L (25 deg C)
Exper. Ref: BANERJEE,S ET AL. (1980)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 22.894 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.18E-004 atm-m3/mole (1.19E+001 Pa-m3/mole)
Group Method: 2.81E-004 atm-m3/mole (2.85E+001 Pa-m3/mole)
Exper Database: 2.79E-04 atm-m3/mole (2.83E+001 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: 2.444E-004 atm-m3/mole (2.476E+001 Pa-m3/mole)
VP: 0.017 mm Hg (source: MPBPVP)
WS: 15.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.21 (exp database)
Log Kaw used: -1.943 (exp database)
Log Koa (KOAWIN v1.10 estimate): 6.153
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0546
Biowin2 (Non-Linear Model) : 0.9984
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8089 (weeks )
Biowin4 (Primary Survey Model) : 3.6891 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4832
Biowin6 (MITI Non-Linear Model): 0.5339
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4962
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): 3.12 Pa (0.0234 mm Hg)
Log Koa (Koawin est ): 6.153
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.62E-007
Octanol/air (Koa) model: 3.49E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.47E-005
Mackay model : 7.69E-005
Octanol/air (Koa) model: 2.79E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.8408 E-12 cm3/molecule-sec
Half-Life = 1.087 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 13.043 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.58E-005 (Junge-Pankow, Mackay avg)
2.79E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1918 L/kg (MCI method)
Log Koc: 3.283 (MCI method)
Koc : 2040 L/kg (Kow method)
Log Koc: 3.310 (Kow method)
Experimental Log Koc: 3.29 (database)
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 = 2.445 (BCF = 278.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1471 days (HL = 0.7127 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.457 (BCF = 286.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.457 (BAF = 286.4)
log Kow used: 4.21 (expkow database)
Volatilization from Water:
Henry LC: 0.000279 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 4.069 hours
Half-Life from Model Lake : 153.8 hours (6.408 days)
Removal In Wastewater Treatment:
Total removal: 45.73 percent
Total biodegradation: 0.37 percent
Total sludge adsorption: 38.51 percent
Total to Air: 6.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.86 26.7 1000
Water 18.3 360 1000
Soil 77.7 720 1000
Sediment 1.15 3.24e+003 0
Persistence Time: 432 hr