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 Num: 007782-50-5
SMILES : CLCL
CHEM : Chlorine
MOL FOR: CL2
MOL WT : 70.91
------------------------------ 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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.67 estimate) = 0.85
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 472.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 169.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.99E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.65E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -101 deg C
BP (exp database): -34.05 deg C
VP (exp database): 5.85E+03 mm Hg (7.80E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 2.542e+004
log Kow used: 0.85 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 6300 mg/L (25 deg C)
Exper. Ref: AMOORE,JE & HAUTALA,E (1983)
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 33535 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : Incomplete
Group Method: 2.45E-002 atm-m3/mole (2.48E+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: 2.790E-003 atm-m3/mole (2.826E+002 Pa-m3/mole)
VP: 4.99E+003 mm Hg (source: MPBPVP)
WS: 2.54E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Biowin1 (Linear Model) : 0.7138
Biowin2 (Non-Linear Model) : 0.8810
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0425 (weeks )
Biowin4 (Primary Survey Model) : 3.7454 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5012
Biowin6 (MITI Non-Linear Model): 0.6174
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 7.8E+005 Pa (5.85E+003 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.85E-012
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.39E-010
Mackay model : 3.08E-010
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
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):
2.23E-010 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 5.462 L/kg (Kow method)
Log Koc: 0.737 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.095E-009 L/mol-sec
Kb Half-Life at pH 8: 4.311E+006 years
Kb Half-Life at pH 7: 4.311E+007 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4578 days (HL = 0.03485 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.121 (BCF = 1.321)
Log BAF Arnot-Gobas method (upper trophic) = 0.121 (BAF = 1.321)
log Kow used: 0.85 (estimated)
Volatilization from Water:
Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 0.8794 hours (52.76 min)
Half-Life from Model Lake : 80.2 hours (3.342 days)
Removal In Wastewater Treatment:
Total removal: 90.51 percent
Total biodegradation: 0.02 percent
Total sludge adsorption: 0.41 percent
Total to Air: 90.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 55.7 1e+005 1000
Water 42.3 360 1000
Soil 1.85 720 1000
Sediment 0.101 3.24e+003 0
Persistence Time: 146 hr