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CAS Number: 75-68-3
SMILES : FC(F)(CL)C
CHEM : Ethane, 1-chloro-1,1-difluoro-
MOL FOR: C2 H3 CL1 F2
MOL WT : 100.50
------------------------------ 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) = 2.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): -13.75 (Adapted Stein & Brown method)
Melting Pt (deg C): -124.52 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.58E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.43E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -130.8 deg C
BP (exp database): -9.7 deg C
VP (exp database): 2.54E+03 mm Hg (3.39E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 372.9
log Kow used: 2.05 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1400 mg/L (25 deg C)
Exper. Ref: CHANG,WK & CRIDDLE,CS (1995)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1884.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.36E-001 atm-m3/mole (1.38E+004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 5.88E-02 atm-m3/mole (5.96E+003 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: 2.695E-001 atm-m3/mole (2.731E+004 Pa-m3/mole)
VP: 2.58E+003 mm Hg (source: MPBPVP)
WS: 373 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.05 (KowWin est)
Log Kaw used: 0.381 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.669
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4044
Biowin2 (Non-Linear Model) : 0.1198
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5918 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4487 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5170
Biowin6 (MITI Non-Linear Model): 0.0002
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4076
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): 3.39E+005 Pa (2.54E+003 mm Hg)
Log Koa (Koawin est ): 1.669
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.86E-012
Octanol/air (Koa) model: 1.15E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.2E-010
Mackay model : 7.09E-010
Octanol/air (Koa) model: 9.16E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0042 E-12 cm3/molecule-sec
Half-Life = 2536.999 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.14E-010 (Junge-Pankow, Mackay avg)
9.16E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 43.89 L/kg (MCI method)
Log Koc: 1.642 (MCI method)
Koc : 60.09 L/kg (Kow method)
Log Koc: 1.779 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.342E-009 L/mol-sec
Kb Half-Life at pH 8: 9.380E+006 years
Kb Half-Life at pH 7: 9.380E+007 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.021 (BCF = 10.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3048 days (HL = 0.4957 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.072 (BCF = 11.79)
Log BAF Arnot-Gobas method (upper trophic) = 1.072 (BAF = 11.79)
log Kow used: 2.05 (estimated)
Volatilization from Water:
Henry LC: 0.0588 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.033 hours
Half-Life from Model Lake : 95.33 hours (3.972 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 95.80 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.58 percent
Total to Air: 95.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 51.4 8.39e+004 1000
Water 46.9 900 1000
Soil 1.53 1.8e+003 1000
Sediment 0.187 8.1e+003 0
Persistence Time: 167 hr