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CAS Num: 000107-06-2
SMILES : CLCCCL
CHEM : Ethane, 1,2-dichloro-
MOL FOR: C2 H4 CL2
MOL WT : 98.96
------------------------------ 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) = 1.83
Log Kow (Exper. database match) = 1.48
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 104.72 (Adapted Stein & Brown method)
Melting Pt (deg C): -76.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 75.4 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -35.5 deg C
BP (exp database): 83.5 deg C
VP (exp database): 7.89E+01 mm Hg (1.05E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6414
log Kow used: 1.48 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 8600 mg/L (25 deg C)
Exper. Ref: HORVATH,AL ET AL. (1999)
Water Sol (Exper. database match) = 5100 mg/L ( deg C)
Exper. Ref: KUHN,W & SANDER,R (1981)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3946.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.21E-002 atm-m3/mole (1.23E+003 Pa-m3/mole)
Group Method: 1.94E-004 atm-m3/mole (1.97E+001 Pa-m3/mole)
Exper Database: 1.18E-03 atm-m3/mole (1.20E+002 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: 1.531E-003 atm-m3/mole (1.551E+002 Pa-m3/mole)
VP: 75.4 mm Hg (source: MPBPVP)
WS: 6.41E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.48 (exp database)
Log Kaw used: -1.317 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.797
Log Koa (experimental database): 2.780
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4777
Biowin2 (Non-Linear Model) : 0.1089
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6341 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5037 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5187
Biowin6 (MITI Non-Linear Model): 0.3207
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8587
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): 1.05E+004 Pa (78.9 mm Hg)
Log Koa (Exp database): 2.780
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.85E-010
Octanol/air (Koa) model: 1.48E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.03E-008
Mackay model : 2.28E-008
Octanol/air (Koa) model: 1.18E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2555 E-12 cm3/molecule-sec
Half-Life = 41.856 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.66E-008 (Junge-Pankow, Mackay avg)
1.18E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 39.6 L/kg (MCI method)
Log Koc: 1.598 (MCI method)
Koc : 19.23 L/kg (Kow method)
Log Koc: 1.284 (Kow method)
Experimental Log Koc: 1.52 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.686E-007 L/mol-sec
Kb Half-Life at pH 8: 4.687E+004 years
Kb Half-Life at pH 7: 4.687E+005 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.644 (BCF = 4.401 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5661 days (HL = 0.2716 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.577 (BCF = 3.777)
Log BAF Arnot-Gobas method (upper trophic) = 0.577 (BAF = 3.777)
log Kow used: 1.48 (expkow database)
Volatilization from Water:
Henry LC: 0.00118 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.509 hours
Half-Life from Model Lake : 99.87 hours (4.161 days)
Removal In Wastewater Treatment:
Total removal: 34.04 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 1.36 percent
Total to Air: 32.61 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 31 1.04e+003 1000
Water 37.9 900 1000
Soil 30.9 1.8e+003 1000
Sediment 0.144 8.1e+003 0
Persistence Time: 244 hr