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CAS Num: 000112-27-6

SMILES : O(CCOCCO)CCO

CHEM : Ethanol, 2,2 -[1,2-ethanediylbis(oxy)]bis-

MOL FOR: C6 H14 O4

MOL WT : 150.18

------------------------------ 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) = -1.75

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

Boiling Pt (deg C): 270.06 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000199 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0265 (Modified Grain method)

MP (exp database): -7 deg C

BP (exp database): 285 deg C

VP (exp database): 1.32E-03 mm Hg (1.76E-001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -1.75 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.16E-011 atm-m3/mole (3.20E-006 Pa-m3/mole)

Group Method: 2.56E-016 atm-m3/mole (2.60E-011 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: 3.932E-011 atm-m3/mole (3.984E-006 Pa-m3/mole)

VP: 0.000199 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -1.75 (KowWin est)

Log Kaw used: -8.889 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.139

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2988

Biowin2 (Non-Linear Model) : 0.0230

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1699 (weeks )

Biowin4 (Primary Survey Model) : 3.8705 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8871

Biowin6 (MITI Non-Linear Model): 0.9283

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7430

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): 0.176 Pa (0.00132 mm Hg)

Log Koa (Koawin est ): 7.139

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

Mackay model : 1.7E-005

Octanol/air (Koa) model: 3.38E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000615

Mackay model : 0.00136

Octanol/air (Koa) model: 0.00027

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.3529 E-12 cm3/molecule-sec

Half-Life = 0.294 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.531 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000989 (Junge-Pankow, Mackay avg)

0.00027 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 0.08975 L/kg (Kow method)

Log Koc: -1.047 (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) = -2.4840 days (HL = 0.003281 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)

log Kow used: -1.75 (estimated)

Volatilization from Water:

Henry LC: 3.16E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.271E+007 hours (9.461E+005 days)

Half-Life from Model Lake : 2.477E+008 hours (1.032E+007 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 0.000675 7.06 1000

Water 30.6 360 1000

Soil 69.4 720 1000

Sediment 0.0688 3.24e+003 0

Persistence Time: 640 hr

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