tetrachloroethane C2H2Cl4 structure – Flashcards

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 2.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 130.12 (Adapted Stein & Brown method)
 Melting Pt (deg C): -38.22 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 9.78 (Mean VP of Antoine & Grain methods)
 MP (exp database): -70.2 deg C
 BP (exp database): 130.5 deg C
 VP (exp database): 1.20E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 196.8
 log Kow used: 2.93 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 1070 mg/L (25 deg C)
 Exper. Ref: HORVATH,AL ET AL. (1999)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 545.36 mg/L
 Wat Sol (Exper. database match) = 1070.00
 Exper. Ref: HORVATH,AL ET AL. (1999)

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.51E-003 atm-m3/mole
 Group Method: 3.46E-004 atm-m3/mole
 Exper Database: 2.42E-03 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.098E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 2.93 (KowWin est)
 Log Kaw used: -1.005 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 3.935
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0381
 Biowin2 (Non-Linear Model) : 0.0002
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 1.9234 (months )
 Biowin4 (Primary Survey Model) : 3.0497 (weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3342
 Biowin6 (MITI Non-Linear Model): 0.0172
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4692
 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): 1.6E+003 Pa (12 mm Hg)
 Log Koa (Koawin est ): 3.935
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.87E-009 
 Octanol/air (Koa) model: 2.11E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 6.77E-008 
 Mackay model : 1.5E-007 
 Octanol/air (Koa) model: 1.69E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.0245 E-12 cm3/molecule-sec
 Half-Life = 436.758 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.09E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 96.63
 Log Koc: 1.985 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 2.977E-004 L/mol-sec
 Kb Half-Life at pH 8: 73.774 years 
 Kb Half-Life at pH 7: 737.737 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 1.559 (BCF = 36.19)
 log Kow used: 2.93 (estimated)

 Volatilization from Water:
 Henry LC: 0.00242 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 1.635 hours
 Half-Life from Model Lake : 126.5 hours (5.27 days)

 Removal In Wastewater Treatment:
 Total removal: 51.10 percent
 Total biodegradation: 0.07 percent
 Total sludge adsorption: 3.63 percent
 Total to Air: 47.39 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 19.5 1.43e+004 1000 
 Water 22.3 1.44e+003 1000 
 Soil 57.7 2.88e+003 1000 
 Sediment 0.474 1.3e+004 0 
 Persistence Time: 411 hr