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CAS Num: 000064-19-7
SMILES : O=C(O)C
CHEM : Acetic acid
MOL FOR: C2 H4 O2
MOL WT : 60.05
------------------------------ 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) = 0.09
Log Kow (Exper. database match) = -0.17
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 122.30 (Adapted Stein & Brown method)
Melting Pt (deg C): -21.26 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 17.2 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.29E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): 16.6 deg C
BP (exp database): 117.9 deg C
VP (exp database): 1.57E+01 mm Hg (2.09E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.759e+005
log Kow used: -0.17 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: MERCK INDEX (1996)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.7137e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.48E-007 atm-m3/mole (5.55E-002 Pa-m3/mole)
Group Method: 2.94E-007 atm-m3/mole (2.98E-002 Pa-m3/mole)
Exper Database: 1.00E-07 atm-m3/mole (1.01E-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: 2.856E-006 atm-m3/mole (2.894E-001 Pa-m3/mole)
VP: 17.2 mm Hg (source: MPBPVP)
WS: 4.76E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.17 (exp database)
Log Kaw used: -5.388 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.218
Log Koa (experimental database): 4.310
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7916
Biowin2 (Non-Linear Model) : 0.9426
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4311 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1467 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7151
Biowin6 (MITI Non-Linear Model): 0.8750
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9433
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): 2.09E+003 Pa (15.7 mm Hg)
Log Koa (Exp database): 4.310
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.43E-009
Octanol/air (Koa) model: 5.01E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.18E-008
Mackay model : 1.15E-007
Octanol/air (Koa) model: 4.01E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.6220 E-12 cm3/molecule-sec
Half-Life = 17.196 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.32E-008 (Junge-Pankow, Mackay avg)
4.01E-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 : 1.153 L/kg (Kow method)
Log Koc: 0.062 (Kow method)
Experimental Log Koc: 0 (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) = -1.1179 days (HL = 0.07622 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.023 (BCF = 0.9474)
Log BAF Arnot-Gobas method (upper trophic) = -0.023 (BAF = 0.9474)
log Kow used: -0.17 (expkow database)
Volatilization from Water:
Henry LC: 1E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 4538 hours (189.1 days)
Half-Life from Model Lake : 4.957E+004 hours (2065 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.66 347 1000
Water 35 208 1000
Soil 62.3 416 1000
Sediment 0.0619 1.87e+003 0
Persistence Time: 348 hr