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CAS Number: 112-60-7
SMILES : O(CCOCCOCCO)CCO
CHEM : Ethanol, 2,2 -[oxybis(2,1-ethanediyloxy)]bis-
MOL FOR: C8 H18 O5
MOL WT : 194.23
------------------------------ EPI SUMMARY (v4.11) --------------------------
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 v1.68 estimate) = -2.02
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 315.80 (Adapted Stein & Brown method)
Melting Pt (deg C): 82.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.12E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00149 (Modified Grain method)
MP (exp database): -6.2 deg C
BP (exp database): 328 deg C
VP (exp database): 4.65E-05 mm Hg (6.20E-003 Pa) at 26 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -2.02 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)
Exper. Ref: HANN,RWJR & JENSEN,PA (1977)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.91E-013 atm-m3/mole (4.97E-008 Pa-m3/mole)
Group Method: 5.48E-019 atm-m3/mole (5.55E-014 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: 2.862E-012 atm-m3/mole (2.900E-007 Pa-m3/mole)
VP: 1.12E-005 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: -2.02 (KowWin est)
Log Kaw used: -10.697 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.677
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0695
Biowin2 (Non-Linear Model) : 0.0004
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0639 (weeks )
Biowin4 (Primary Survey Model) : 3.7972 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8563
Biowin6 (MITI Non-Linear Model): 0.8851
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5378
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): 0.0062 Pa (4.65E-005 mm Hg)
Log Koa (Koawin est ): 8.677
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000484
Octanol/air (Koa) model: 0.000117
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0172
Mackay model : 0.0373
Octanol/air (Koa) model: 0.00925
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 50.3685 E-12 cm3/molecule-sec
Half-Life = 0.212 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.548 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0272 (Junge-Pankow, Mackay avg)
0.00925 (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 : 0.05165 L/kg (Kow method)
Log Koc: -1.287 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.6329 days (HL = 0.002328 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
log Kow used: -2.02 (estimated)
Volatilization from Water:
Henry LC: 4.91E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.662E+009 hours (6.924E+007 days)
Half-Life from Model Lake : 1.813E+010 hours (7.554E+008 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 1.07e-005 5.1 1000
Water 30.6 360 1000
Soil 69.4 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 640 hr