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CAS Number: 75-01-4

SMILES : C(=C)CL

CHEM : Ethene, chloro-

MOL FOR: C2 H3 CL1

MOL WT : 62.50

------------------------------ 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) = 1.62

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 3.97 (Adapted Stein & Brown method)

Melting Pt (deg C): -122.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.72E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.63E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -153.7 deg C

BP (exp database): -13.3 deg C

VP (exp database): 2.98E+03 mm Hg (3.97E+005 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5631

log Kow used: 1.62 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 8800 mg/L (25 deg C)

Exper. Ref: DELASSUS,PT & SCHMIDT,DD (1981)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4120.2 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 : 4.44E-002 atm-m3/mole (4.50E+003 Pa-m3/mole)

Group Method: 5.60E-002 atm-m3/mole (5.68E+003 Pa-m3/mole)

Exper Database: 2.78E-02 atm-m3/mole (2.82E+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: 1.110E-002 atm-m3/mole (1.125E+003 Pa-m3/mole)

VP: 2.72E+003 mm Hg (source: MPBPVP)

WS: 5.63E+003 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.62 (KowWin est)

Log Kaw used: 0.056 (exp database)

Log Koa (KOAWIN v1.10 estimate): 1.564

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6064

Biowin2 (Non-Linear Model) : 0.5667

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8879 (weeks )

Biowin4 (Primary Survey Model) : 3.6570 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5459

Biowin6 (MITI Non-Linear Model): 0.5418

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6009

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): 3.97E+005 Pa (2.98E+003 mm Hg)

Log Koa (Koawin est ): 1.564

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 7.55E-012

Octanol/air (Koa) model: 8.99E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.73E-010

Mackay model : 6.04E-010

Octanol/air (Koa) model: 7.2E-010

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.5230 E-12 cm3/molecule-sec

Half-Life = 1.937 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 23.240 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.025025 E-17 cm3/molecule-sec

Half-Life = 45.794 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

4.38E-010 (Junge-Pankow, Mackay avg)

7.2E-010 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 21.73 L/kg (MCI method)

Log Koc: 1.337 (MCI method)

Koc : 25.44 L/kg (Kow method)

Log Koc: 1.406 (Kow method)

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 = 0.738 (BCF = 5.471 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5411 days (HL = 0.2877 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.689 (BCF = 4.892)

Log BAF Arnot-Gobas method (upper trophic) = 0.689 (BAF = 4.892)

log Kow used: 1.62 (estimated)

Volatilization from Water:

Henry LC: 0.0278 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 0.8234 hours (49.40 min)

Half-Life from Model Lake : 75.27 hours (3.136 days)

Removal In Wastewater Treatment:

Total removal: 91.54 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 0.48 percent

Total to Air: 91.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 29.9 35.7 1000

Water 66.6 360 1000

Soil 3.29 720 1000

Sediment 0.183 3.24e+003 0

Persistence Time: 92.8 hr

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