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CAS Num: 000127-08-2
SMILES : KOC(=O)C
CHEM : Acetic acid, potassium salt
MOL FOR: C2 H3 O2 K1
MOL WT : 98.14
------------------------------ 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) = -3.72
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 392.35 (Adapted Stein & Brown method)
Melting Pt (deg C): 148.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.37E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.83E-006 (Modified Grain method)
MP (exp database): 292 deg C
Subcooled liquid VP: 1.27E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0017 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -3.72 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.1301e+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 : Incomplete
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.769E-015 atm-m3/mole (1.793E-010 Pa-m3/mole)
VP: 1.37E-008 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
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): 0.00169 Pa (1.27E-005 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00177
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0601
Mackay model : 0.124
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0422 E-12 cm3/molecule-sec
Half-Life = 253.700 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0921 (Junge-Pankow, Mackay avg)
not available (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 : 0.01253 L/kg (Kow method)
Log Koc: -1.902 (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) = -1.5959 days (HL = 0.02536 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.032 (BCF = 0.9293)
Log BAF Arnot-Gobas method (upper trophic) = -0.032 (BAF = 0.9293)
log Kow used: -0.17 (expkow database)
Volatilization from Water:
Henry LC: 1.77E-015 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 3.279E+011 hours (1.366E+010 days)
Half-Life from Model Lake : 3.577E+012 hours (1.49E+011 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 3.05e-007 6.09e+003 1000
Water 33.5 208 1000
Soil 66.5 416 1000
Sediment 0.0592 1.87e+003 0
Persistence Time: 391 hr