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CAS Num: 000076-13-1
SMILES : FC(F)(C(F)(CL)CL)CL
CHEM : Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
MOL FOR: C2 CL3 F3
MOL WT : 187.38
------------------------------ 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) = 3.09
Log Kow (Exper. database match) = 3.16
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 47.57 (Adapted Stein & Brown method)
Melting Pt (deg C): -75.19 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 320 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.27E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -35 deg C
BP (exp database): 47.7 deg C
VP (exp database): 3.63E+02 mm Hg (4.84E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 18.36
log Kow used: 3.16 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 170 mg/L (25 deg C)
Exper. Ref: HORVATH,AL ET AL. (1999)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 121.08 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.67E-001 atm-m3/mole (2.71E+004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 5.26E-01 atm-m3/mole (5.33E+004 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: 4.297E+000 atm-m3/mole (4.354E+005 Pa-m3/mole)
VP: 320 mm Hg (source: MPBPVP)
WS: 18.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.16 (exp database)
Log Kaw used: 1.333 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.827
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0437
Biowin2 (Non-Linear Model) : 0.0002
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8413 (months )
Biowin4 (Primary Survey Model) : 2.9687 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3453
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1236
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.84E+004 Pa (363 mm Hg)
Log Koa (Koawin est ): 1.827
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.2E-011
Octanol/air (Koa) model: 1.65E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.24E-009
Mackay model : 4.96E-009
Octanol/air (Koa) model: 1.32E-009
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):
3.6E-009 (Junge-Pankow, Mackay avg)
1.32E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 196.8 L/kg (MCI method)
Log Koc: 2.294 (MCI method)
Koc : 552.3 L/kg (Kow method)
Log Koc: 2.742 (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 v3.00):
Log BCF from regression-based method = 1.752 (BCF = 56.49 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2667 days (HL = 1.848 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.108 (BCF = 128.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.108 (BAF = 128.3)
log Kow used: 3.16 (expkow database)
Volatilization from Water:
Henry LC: 0.526 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.398 hours
Half-Life from Model Lake : 130 hours (5.418 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.52 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 3.49 percent
Total to Air: 96.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 50.4 1e+005 1000
Water 48.2 1.44e+003 1000
Soil 0.838 2.88e+003 1000
Sediment 0.592 1.3e+004 0
Persistence Time: 174 hr