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CAS Num: 000064-17-5
SMILES : OCC
CHEM : Ethanol
MOL FOR: C2 H6 O1
MOL WT : 46.07
------------------------------ 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) = -0.14
Log Kow (Exper. database match) = -0.31
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 65.11 (Adapted Stein & Brown method)
Melting Pt (deg C): -87.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 60.9 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.12E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -114.1 deg C
BP (exp database): 78.2 deg C
VP (exp database): 5.93E+01 mm Hg (7.91E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.921e+005
log Kow used: -0.31 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.5246e+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 : 5.67E-006 atm-m3/mole (5.74E-001 Pa-m3/mole)
Group Method: 4.88E-006 atm-m3/mole (4.95E-001 Pa-m3/mole)
Exper Database: 5.00E-06 atm-m3/mole (5.07E-001 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: 4.661E-006 atm-m3/mole (4.722E-001 Pa-m3/mole)
VP: 60.9 mm Hg (source: MPBPVP)
WS: 7.92E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.31 (exp database)
Log Kaw used: -3.689 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.379
Log Koa (experimental database): 3.250
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8843
Biowin2 (Non-Linear Model) : 0.9699
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2573 (days-weeks )
Biowin4 (Primary Survey Model) : 3.9107 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7860
Biowin6 (MITI Non-Linear Model): 0.9339
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9153
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): 7.91E+003 Pa (59.3 mm Hg)
Log Koa (Exp database): 3.250
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.79E-010
Octanol/air (Koa) model: 4.37E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.37E-008
Mackay model : 3.04E-008
Octanol/air (Koa) model: 3.49E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 3.5763 E-12 cm3/molecule-sec
Half-Life = 2.991 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 35.890 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.2E-008 (Junge-Pankow, Mackay avg)
3.49E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.045 L/kg (MCI method)
Log Koc: 0.019 (MCI method)
Koc : 2.199 L/kg (Kow method)
Log Koc: 0.342 (Kow method)
Experimental Log Koc: 0.2 (database)
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) = -1.5427 days (HL = 0.02866 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9209)
Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9209)
log Kow used: -0.31 (expkow database)
Volatilization from Water:
Henry LC: 5E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 80.17 hours (3.34 days)
Half-Life from Model Lake : 931.5 hours (38.81 days)
Removal In Wastewater Treatment:
Total removal: 2.13 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.4 78.5 1000
Water 40.6 208 1000
Soil 51.9 416 1000
Sediment 0.0718 1.87e+003 0
Persistence Time: 249 hr