This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 71-55-6
SMILES : C(CL)(CL)(CL)C
CHEM : Ethane, 1,1,1-trichloro-
MOL FOR: C2 H3 CL3
MOL WT : 133.41
------------------------------ 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) = 2.68
Log Kow (Exper. database match) = 2.49
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 65.64 (Adapted Stein & Brown method)
Melting Pt (deg C): -72.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 112 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.49E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -30.4 deg C
BP (exp database): 74.0 deg C
VP (exp database): 1.24E+02 mm Hg (1.65E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 666.1
log Kow used: 2.49 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1290 mg/L (25 deg C)
Exper. Ref: HORVATH,AL ET AL. (1999)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1380 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.27E-003 atm-m3/mole (4.33E+002 Pa-m3/mole)
Group Method: 1.62E-002 atm-m3/mole (1.64E+003 Pa-m3/mole)
Exper Database: 1.72E-02 atm-m3/mole (1.74E+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: 2.952E-002 atm-m3/mole (2.991E+003 Pa-m3/mole)
VP: 112 mm Hg (source: MPBPVP)
WS: 666 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.49 (exp database)
Log Kaw used: -0.153 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.643
Log Koa (experimental database): 2.700
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1659
Biowin2 (Non-Linear Model) : 0.0021
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1727 (months )
Biowin4 (Primary Survey Model) : 3.2000 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3866
Biowin6 (MITI Non-Linear Model): 0.0560
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3783
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): 1.65E+004 Pa (124 mm Hg)
Log Koa (Exp database): 2.700
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.81E-010
Octanol/air (Koa) model: 1.23E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.55E-009
Mackay model : 1.45E-008
Octanol/air (Koa) model: 9.84E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0094 E-12 cm3/molecule-sec
Half-Life = 1139.811 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.05E-008 (Junge-Pankow, Mackay avg)
9.84E-009 (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 : 144.8 L/kg (Kow method)
Log Koc: 2.161 (Kow method)
Experimental Log Koc: 1.95 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.434E-009 L/mol-sec
Kb Half-Life at pH 8: 2.954E+006 years
Kb Half-Life at pH 7: 2.954E+007 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.310 (BCF = 20.41 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0849 days (HL = 0.8224 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.014 (BCF = 10.32)
Log BAF Arnot-Gobas method (upper trophic) = 1.014 (BAF = 10.32)
log Kow used: 2.49 (expkow database)
Volatilization from Water:
Henry LC: 0.0172 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.218 hours
Half-Life from Model Lake : 110.1 hours (4.589 days)
Removal In Wastewater Treatment:
Total removal: 87.10 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 1.23 percent
Total to Air: 85.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 48.5 2.75e+004 1000
Water 47.3 1.44e+003 1000
Soil 3.94 2.88e+003 1000
Sediment 0.194 1.3e+004 0
Persistence Time: 179 hr