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CAS Number: 115-10-6


CHEM : Methane, oxybis-


MOL WT : 46.07

------------------------------ 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) = 0.07

Log Kow (Exper. database match) = 0.10

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): -6.68 (Adapted Stein & Brown method)

Melting Pt (deg C): -128.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.85E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.13E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -141.5 deg C

BP (exp database): -24.8 deg C

VP (exp database): 4.45E+03 mm Hg (5.93E+005 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.093e+005

log Kow used: 0.10 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4.6e+004 mg/L (25 deg C)

Exper. Ref: HINE,J & MOOKERJEE,PK (1975)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.505e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 8.62E-004 atm-m3/mole (8.74E+001 Pa-m3/mole)

Group Method: 4.99E-004 atm-m3/mole (5.06E+001 Pa-m3/mole)

Exper Database: 1.00E-03 atm-m3/mole (1.01E+002 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: 4.215E-004 atm-m3/mole (4.271E+001 Pa-m3/mole)

VP: 3.85E+003 mm Hg (source: MPBPVP)

WS: 1.09E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.10 (exp database)

Log Kaw used: -1.388 (exp database)

Log Koa (KOAWIN v1.10 estimate): 1.488

Log Koa (experimental database): 1.370

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3783

Biowin2 (Non-Linear Model) : 0.2545

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0887 (weeks )

Biowin4 (Primary Survey Model) : 3.7715 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5774

Biowin6 (MITI Non-Linear Model): 0.7554

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4197

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): 5.93E+005 Pa (4.45E+003 mm Hg)

Log Koa (Exp database): 1.370

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 5.06E-012

Octanol/air (Koa) model: 5.75E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.83E-010

Mackay model : 4.04E-010

Octanol/air (Koa) model: 4.6E-010

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.6592 E-12 cm3/molecule-sec

Half-Life = 6.446 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 77.358 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.94E-010 (Junge-Pankow, Mackay avg)

4.6E-010 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.92 L/kg (MCI method)

Log Koc: 0.465 (MCI method)

Koc : 7.759 L/kg (Kow method)

Log Koc: 0.890 (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) = -1.1575 days (HL = 0.06958 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.004 (BCF = 0.9917)

Log BAF Arnot-Gobas method (upper trophic) = -0.004 (BAF = 0.9917)

log Kow used: 0.10 (expkow database)

Volatilization from Water:

Henry LC: 0.001 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.09 hours

Half-Life from Model Lake : 68.8 hours (2.867 days)

Removal In Wastewater Treatment:

Total removal: 30.75 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.31 percent

Total to Air: 29.36 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 30 86.1 1000

Water 51 360 1000

Soil 18.9 720 1000

Sediment 0.0996 3.24e+003 0

Persistence Time: 141 hr

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