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CAS Number: 2568-90-3


CHEM : Butane, 1,1 -[methylenebis(oxy)]bis-

MOL FOR: C9 H20 O2

MOL WT : 160.26

------------------------------ 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) = 2.75

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

Boiling Pt (deg C): 187.20 (Adapted Stein & Brown method)

Melting Pt (deg C): -20.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.37 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 183 (Mean VP of Antoine & Grain methods)

MP (exp database): -58.1 deg C

BP (exp database): 179.2 deg C

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

Water Solubility at 25 deg C (mg/L): 304.9

log Kow used: 2.75 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 717.76 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.77E-004 atm-m3/mole (2.81E+001 Pa-m3/mole)

Group Method: 1.47E-003 atm-m3/mole (1.49E+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: 9.475E-004 atm-m3/mole (9.600E+001 Pa-m3/mole)

VP: 1.37 mm Hg (source: MPBPVP)

WS: 305 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.75 (KowWin est)

Log Kaw used: -1.946 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.696

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1934

Biowin2 (Non-Linear Model) : 0.0803

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4244 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1352 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5850

Biowin6 (MITI Non-Linear Model): 0.6749

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2911

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): 167 Pa (1.25 mm Hg)

Log Koa (Koawin est ): 4.696

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

Mackay model : 1.8E-008

Octanol/air (Koa) model: 1.22E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.5E-007

Mackay model : 1.44E-006

Octanol/air (Koa) model: 9.75E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.1080 E-12 cm3/molecule-sec

Half-Life = 0.381 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.566 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.05E-006 (Junge-Pankow, Mackay avg)

9.75E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 47.76 L/kg (MCI method)

Log Koc: 1.679 (MCI method)

Koc : 184.1 L/kg (Kow method)

Log Koc: 2.265 (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 = 1.483 (BCF = 30.38 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4210 days (HL = 0.3793 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.632 (BCF = 42.83)

Log BAF Arnot-Gobas method (upper trophic) = 1.632 (BAF = 42.83)

log Kow used: 2.75 (estimated)

Volatilization from Water:

Henry LC: 0.000277 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.968 hours

Half-Life from Model Lake : 149.4 hours (6.226 days)

Removal In Wastewater Treatment:

Total removal: 14.96 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.66 percent

Total to Air: 11.20 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.63 7.57 1000

Water 32.4 208 1000

Soil 64.8 416 1000

Sediment 0.111 1.87e+003 0

Persistence Time: 194 hr

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