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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

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