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CAS Number: 109-86-4
SMILES : O(CCO)C
CHEM : Ethanol, 2-methoxy-
MOL FOR: C3 H8 O2
MOL WT : 76.10
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = -0.91
Log Kow (Exper. database match) = -0.77
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 114.82 (Adapted Stein & Brown method)
Melting Pt (deg C): -56.58 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.61 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 748 (Mean VP of Antoine & Grain methods)
MP (exp database): -85.1 deg C
BP (exp database): 124.1 deg C
VP (exp database): 9.50E+00 mm Hg (1.27E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.77 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: DOW CHEMICAL COMPANY (1981)
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 : 4.19E-008 atm-m3/mole (4.24E-003 Pa-m3/mole)
Group Method: 7.73E-009 atm-m3/mole (7.84E-004 Pa-m3/mole)
Exper Database: 3.30E-07 atm-m3/mole (3.34E-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: 5.617E-007 atm-m3/mole (5.692E-002 Pa-m3/mole)
VP: 5.61 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: -0.77 (exp database)
Log Kaw used: -4.870 (exp database)
Log Koa (KOAWIN v1.10 estimate): 4.100
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5227
Biowin2 (Non-Linear Model) : 0.4053
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1823 (weeks )
Biowin4 (Primary Survey Model) : 3.8577 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7476
Biowin6 (MITI Non-Linear Model): 0.8913
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6840
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): 1.27E+003 Pa (9.5 mm Hg)
Log Koa (Koawin est ): 4.100
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.37E-009
Octanol/air (Koa) model: 3.09E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.55E-008
Mackay model : 1.89E-007
Octanol/air (Koa) model: 2.47E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.9983 E-12 cm3/molecule-sec
Half-Life = 0.891 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.698 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.38E-007 (Junge-Pankow, Mackay avg)
2.47E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1 L/kg (MCI method)
Log Koc: 0.000 (MCI method)
Koc : 0.9935 L/kg (Kow method)
Log Koc: -0.003 (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) = -1.7602 days (HL = 0.01737 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9004)
Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.9004)
log Kow used: -0.77 (expkow database)
Volatilization from Water:
Henry LC: 3.3E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1549 hours (64.53 days)
Half-Life from Model Lake : 1.697E+004 hours (707 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.81 20.5 1000
Water 44.6 360 1000
Soil 53.5 720 1000
Sediment 0.0834 3.24e+003 0
Persistence Time: 383 hr