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CAS Number: 127-18-4
SMILES : C(=C(CL)CL)(CL)CL
CHEM : Ethene, tetrachloro-
MOL FOR: C2 CL4
MOL WT : 165.83
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 2.97
Log Kow (Exper. database match) = 3.40
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 114.28 (Adapted Stein & Brown method)
Melting Pt (deg C): -60.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 17.8 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.37E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -22.3 deg C
BP (exp database): 121.3 deg C
VP (exp database): 1.85E+01 mm Hg (2.47E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 80.32
log Kow used: 3.40 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 206 mg/L (25 deg C)
Exper. Ref: HORVATH,AL ET AL. (1999)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 247.12 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Halides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.65E-002 atm-m3/mole (1.67E+003 Pa-m3/mole)
Group Method: 1.77E-002 atm-m3/mole (1.80E+003 Pa-m3/mole)
Exper Database: 1.77E-02 atm-m3/mole (1.79E+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: 4.836E-002 atm-m3/mole (4.900E+003 Pa-m3/mole)
VP: 17.8 mm Hg (source: MPBPVP)
WS: 80.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.40 (exp database)
Log Kaw used: -0.140 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.540
Log Koa (experimental database): 3.480
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2230
Biowin2 (Non-Linear Model) : 0.0012
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1400 (months )
Biowin4 (Primary Survey Model) : 3.2060 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2231
Biowin6 (MITI Non-Linear Model): 0.0080
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7775
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): 2.47E+003 Pa (18.5 mm Hg)
Log Koa (Exp database): 3.480
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.22E-009
Octanol/air (Koa) model: 7.41E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.39E-008
Mackay model : 9.73E-008
Octanol/air (Koa) model: 5.93E-008
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 = 0.000073 E-17 cm3/molecule-sec
Half-Life = 15660.362 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
7.06E-008 (Junge-Pankow, Mackay avg)
5.93E-008 (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 : 892.2 L/kg (Kow method)
Log Koc: 2.950 (Kow method)
Experimental Log Koc: 2.4 (database)
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 = 1.910 (BCF = 81.34 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5257 days (HL = 3.355 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.663 (BCF = 46.04)
Log BAF Arnot-Gobas method (upper trophic) = 1.663 (BAF = 46.04)
log Kow used: 3.40 (expkow database)
Volatilization from Water:
Henry LC: 0.0177 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.357 hours
Half-Life from Model Lake : 122.8 hours (5.116 days)
Removal In Wastewater Treatment:
Total removal: 87.91 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 6.32 percent
Total to Air: 81.53 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 46 1.53e+003 1000
Water 46.8 1.44e+003 1000
Soil 6.88 2.88e+003 1000
Sediment 0.315 1.3e+004 0
Persistence Time: 181 hr