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CAS Number: 56-23-5
SMILES : C(CL)(CL)(CL)CL
CHEM : Methane, tetrachloro-
MOL FOR: C1 CL4
MOL WT : 153.82
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 2.44
Log Kow (Exper. database match) = 2.83
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 80.36 (Adapted Stein & Brown method)
Melting Pt (deg C): -58.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 99.5 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.33E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -23 deg C
BP (exp database): 76.8 deg C
VP (exp database): 1.15E+02 mm Hg (1.53E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 279.5
log Kow used: 2.83 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 793 mg/L (25 deg C)
Exper. Ref: HORVATH,AL (1982)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1721.1 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.54E-002 atm-m3/mole (2.57E+003 Pa-m3/mole)
Group Method: 3.00E-002 atm-m3/mole (3.04E+003 Pa-m3/mole)
Exper Database: 2.76E-02 atm-m3/mole (2.80E+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: 7.205E-002 atm-m3/mole (7.301E+003 Pa-m3/mole)
VP: 99.5 mm Hg (source: MPBPVP)
WS: 280 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.83 (exp database)
Log Kaw used: 0.052 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.778
Log Koa (experimental database): 2.790
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0448
Biowin2 (Non-Linear Model) : 0.0002
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9544 (months )
Biowin4 (Primary Survey Model) : 3.0699 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3265
Biowin6 (MITI Non-Linear Model): 0.0167
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4432
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): 1.53E+004 Pa (115 mm Hg)
Log Koa (Exp database): 2.790
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.96E-010
Octanol/air (Koa) model: 1.51E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.07E-009
Mackay model : 1.57E-008
Octanol/air (Koa) model: 1.21E-008
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):
1.14E-008 (Junge-Pankow, Mackay avg)
1.21E-008 (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 : 285.6 L/kg (Kow method)
Log Koc: 2.456 (Kow method)
Experimental Log Koc: 1.85 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.534 (BCF = 34.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0829 days (HL = 1.21 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.275 (BCF = 18.82)
Log BAF Arnot-Gobas method (upper trophic) = 1.275 (BAF = 18.82)
log Kow used: 2.83 (expkow database)
Volatilization from Water:
Henry LC: 0.0276 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.292 hours
Half-Life from Model Lake : 118.1 hours (4.92 days)
Removal In Wastewater Treatment:
Total removal: 91.57 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 2.02 percent
Total to Air: 89.51 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 49.4 1e+005 1000
Water 47.8 1.44e+003 1000
Soil 2.64 2.88e+003 1000
Sediment 0.196 1.3e+004 0
Persistence Time: 177 hr