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CAS Number: 9002-83-9
SMILES : FC(F)=C(CL)F
CHEM :
MOL FOR: C2 CL1 F3
MOL WT : 116.47
------------------------------ 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) = 1.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 7.53 (Adapted Stein & Brown method)
Melting Pt (deg C): -135.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.19E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.59E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -158 deg C
BP (exp database): -27.8 deg C
VP (exp database): 4.59E+03 mm Hg (6.12E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4013
log Kow used: 1.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6789 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Halides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.11E-001 atm-m3/mole (3.15E+004 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: 2.902E-002 atm-m3/mole (2.941E+003 Pa-m3/mole)
VP: 4.19E+003 mm Hg (source: MPBPVP)
WS: 4.01E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.65 (KowWin est)
Log Kaw used: 1.104 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.546
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5807
Biowin2 (Non-Linear Model) : 0.3780
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7686 (weeks )
Biowin4 (Primary Survey Model) : 3.5791 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4189
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8214
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): 6.12E+005 Pa (4.59E+003 mm Hg)
Log Koa (Koawin est ): 0.546
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.9E-012
Octanol/air (Koa) model: 8.63E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.77E-010
Mackay model : 3.92E-010
Octanol/air (Koa) model: 6.9E-011
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2139 E-12 cm3/molecule-sec
Half-Life = 49.998 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.001602 E-17 cm3/molecule-sec
Half-Life = 715.534 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
2.85E-010 (Junge-Pankow, Mackay avg)
6.9E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 94.94 L/kg (MCI method)
Log Koc: 1.977 (MCI method)
Koc : 27.02 L/kg (Kow method)
Log Koc: 1.432 (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 = 0.757 (BCF = 5.715 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1397 days (HL = 0.725 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.738 (BCF = 5.464)
Log BAF Arnot-Gobas method (upper trophic) = 0.738 (BAF = 5.464)
log Kow used: 1.65 (estimated)
Volatilization from Water:
Henry LC: 0.311 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.103 hours
Half-Life from Model Lake : 102.5 hours (4.272 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.18 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.36 percent
Total to Air: 98.79 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 30.9 36.6 1000
Water 67.2 360 1000
Soil 1.47 720 1000
Sediment 0.38 3.24e+003 0
Persistence Time: 91.5 hr