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CAS Num: 000067-66-3
SMILES : C(CL)(CL)CL
CHEM : Methane, trichloro-
MOL FOR: C1 H1 CL3
MOL WT : 119.38
------------------------------ 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) = 1.52
Log Kow (Exper. database match) = 1.97
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 91.18 (Adapted Stein & Brown method)
Melting Pt (deg C): -78.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 189 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.51E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -63.6 deg C
BP (exp database): 61.1 deg C
VP (exp database): 1.97E+02 mm Hg (2.63E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2096
log Kow used: 1.97 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 7950 mg/L (25 deg C)
Exper. Ref: MACKAY,D ET AL. (1980)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8630.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.22E-003 atm-m3/mole (3.26E+002 Pa-m3/mole)
Group Method: 4.06E-003 atm-m3/mole (4.11E+002 Pa-m3/mole)
Exper Database: 3.67E-03 atm-m3/mole (3.72E+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: 1.416E-002 atm-m3/mole (1.435E+003 Pa-m3/mole)
VP: 189 mm Hg (source: MPBPVP)
WS: 2.1E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.97 (exp database)
Log Kaw used: -0.824 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.794
Log Koa (experimental database): 2.800
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3565
Biowin2 (Non-Linear Model) : 0.0141
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4158 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3737 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3096
Biowin6 (MITI Non-Linear Model): 0.0503
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6263
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): 2.63E+004 Pa (197 mm Hg)
Log Koa (Exp database): 2.800
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14E-010
Octanol/air (Koa) model: 1.55E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.13E-009
Mackay model : 9.14E-009
Octanol/air (Koa) model: 1.24E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.1065 E-12 cm3/molecule-sec
Half-Life = 100.477 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.63E-009 (Junge-Pankow, Mackay avg)
1.24E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 31.82 L/kg (MCI method)
Log Koc: 1.503 (MCI method)
Koc : 51.21 L/kg (Kow method)
Log Koc: 1.709 (Kow method)
Experimental Log Koc: 1.6 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.445E-005 L/mol-sec
Kb Half-Life at pH 8: 340.755 years
Kb Half-Life at pH 7: 3407.546 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.967 (BCF = 9.264 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3467 days (HL = 0.4501 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.940 (BCF = 8.706)
Log BAF Arnot-Gobas method (upper trophic) = 0.940 (BAF = 8.706)
log Kow used: 1.97 (expkow database)
Volatilization from Water:
Henry LC: 0.00367 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.289 hours
Half-Life from Model Lake : 105.7 hours (4.403 days)
Removal In Wastewater Treatment:
Total removal: 59.81 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.14 percent
Total to Air: 58.61 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 43.5 2.49e+003 1000
Water 44 900 1000
Soil 12.4 1.8e+003 1000
Sediment 0.15 8.1e+003 0
Persistence Time: 189 hr