This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 2923-18-4
SMILES : O([Na])C(=O)C(F)(F)F
CHEM : TRIFLUOROACETIC ACID SODIUM SALT
MOL FOR: C2 F3 O2 Na1
MOL WT : 136.01
------------------------------ 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) = -3.31
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 384.16 (Adapted Stein & Brown method)
Melting Pt (deg C): 138.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.37E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 3.16E-005 (Modified Grain method)
MP (exp database): 207 dec deg C
Subcooled liquid VP: 2.01E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00268 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -3.31 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 27095 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.33E-006 atm-m3/mole (4.39E-001 Pa-m3/mole)
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: 4.241E-014 atm-m3/mole (4.298E-009 Pa-m3/mole)
VP: 2.37E-007 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: -3.31 (KowWin est)
Log Kaw used: -3.752 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.442
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2455
Biowin2 (Non-Linear Model) : 0.0257
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7988 (weeks )
Biowin4 (Primary Survey Model) : 3.7944 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6062
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0229
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): 0.00268 Pa (2.01E-005 mm Hg)
Log Koa (Koawin est ): 0.442
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00112
Octanol/air (Koa) model: 6.79E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0389
Mackay model : 0.0822
Octanol/air (Koa) model: 5.43E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0605 (Junge-Pankow, Mackay avg)
5.43E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.231 L/kg (MCI method)
Log Koc: 0.509 (MCI method)
Koc : 0.02113 L/kg (Kow method)
Log Koc: -1.675 (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) = -1.0919 days (HL = 0.08092 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.061 (BCF = 1.151)
Log BAF Arnot-Gobas method (upper trophic) = 0.061 (BAF = 1.151)
log Kow used: 0.50 (estimated)
Volatilization from Water:
Henry LC: 4.33E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 158.9 hours (6.62 days)
Half-Life from Model Lake : 1831 hours (76.29 days)
Removal In Wastewater Treatment:
Total removal: 2.09 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.24 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.76 1e+005 1000
Water 38.5 360 1000
Soil 56.7 720 1000
Sediment 0.0757 3.24e+003 0
Persistence Time: 466 hr