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Home Page Flashcards Oxalate C2O4 structure - Flashcards

Oxalate C2O4 structure – Flashcards

Flashcard maker : Margaret Bruce

Molecular Formula C2O4
Average mass 88.020 Da
Density
Boiling Point 365.1±25.0 °C at 760 mmHg
Flash Point 188.8±19.7 °C
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Melting Point:

      189.5 °C Jean-Claude Bradley Open Melting Point Dataset 16469
  • Miscellaneous

    • Safety:

      CAUTION: May be harmful if swallowed Alfa Aesar 42568

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

Density:
Boiling Point: 365.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 188.8±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method)
 Melting Pt (deg C): 62.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0056 (Modified Grain method)
 MP (exp database): 101.5 deg C
 VP (exp database): 2.34E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00134 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.74 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 2.2e+005 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Water Sol (Exper. database match) = 1350 mg/L (30 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 220000.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Wat Sol (Exper. database match) = 1350.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.41E-011 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.43E-10 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.635E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.74 (KowWin est)
 Log Kaw used: -8.233 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 6.493
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8501
 Biowin2 (Non-Linear Model) : 0.9533
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.7294 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.4890 (hours-days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8066
 Biowin6 (MITI Non-Linear Model): 0.8999
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.2096
 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): 0.179 Pa (0.00134 mm Hg)
 Log Koa (Koawin est ): 6.493
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.68E-005 
 Octanol/air (Koa) model: 7.64E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000606 
 Mackay model : 0.00134 
 Octanol/air (Koa) model: 6.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec
 Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.895
 Log Koc: 0.278 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: -1.74 (estimated)

 Volatilization from Water:
 Henry LC: 1.43E-010 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.885E+006 hours (1.619E+005 days)
 Half-Life from Model Lake : 4.238E+007 hours (1.766E+006 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.00504 247 1000 
 Water 34.5 208 1000 
 Soil 65.5 416 1000 
 Sediment 0.0596 1.87e+003 0 
 Persistence Time: 387 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method)
 Melting Pt (deg C): 62.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0056 (Modified Grain method)
 MP (exp database): 101.5 deg C
 VP (exp database): 2.34E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00134 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.74 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 2.2e+005 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Water Sol (Exper. database match) = 1350 mg/L (30 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 220000.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Wat Sol (Exper. database match) = 1350.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.41E-011 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.43E-10 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.635E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.74 (KowWin est)
 Log Kaw used: -8.233 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 6.493
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8501
 Biowin2 (Non-Linear Model) : 0.9533
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.7294 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.4890 (hours-days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8066
 Biowin6 (MITI Non-Linear Model): 0.8999
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.2096
 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): 0.179 Pa (0.00134 mm Hg)
 Log Koa (Koawin est ): 6.493
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.68E-005 
 Octanol/air (Koa) model: 7.64E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000606 
 Mackay model : 0.00134 
 Octanol/air (Koa) model: 6.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec
 Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.895
 Log Koc: 0.278 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: -1.74 (estimated)

 Volatilization from Water:
 Henry LC: 1.43E-010 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.885E+006 hours (1.619E+005 days)
 Half-Life from Model Lake : 4.238E+007 hours (1.766E+006 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.00504 247 1000 
 Water 34.5 208 1000 
 Soil 65.5 416 1000 
 Sediment 0.0596 1.87e+003 0 
 Persistence Time: 387 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method)
 Melting Pt (deg C): 62.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0056 (Modified Grain method)
 MP (exp database): 101.5 deg C
 VP (exp database): 2.34E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00134 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.74 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 2.2e+005 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Water Sol (Exper. database match) = 1350 mg/L (30 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 220000.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Wat Sol (Exper. database match) = 1350.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.41E-011 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.43E-10 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.635E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.74 (KowWin est)
 Log Kaw used: -8.233 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 6.493
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8501
 Biowin2 (Non-Linear Model) : 0.9533
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.7294 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.4890 (hours-days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8066
 Biowin6 (MITI Non-Linear Model): 0.8999
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.2096
 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): 0.179 Pa (0.00134 mm Hg)
 Log Koa (Koawin est ): 6.493
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.68E-005 
 Octanol/air (Koa) model: 7.64E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000606 
 Mackay model : 0.00134 
 Octanol/air (Koa) model: 6.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec
 Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.895
 Log Koc: 0.278 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: -1.74 (estimated)

 Volatilization from Water:
 Henry LC: 1.43E-010 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.885E+006 hours (1.619E+005 days)
 Half-Life from Model Lake : 4.238E+007 hours (1.766E+006 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.00504 247 1000 
 Water 34.5 208 1000 
 Soil 65.5 416 1000 
 Sediment 0.0596 1.87e+003 0 
 Persistence Time: 387 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method)
 Melting Pt (deg C): 62.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0056 (Modified Grain method)
 MP (exp database): 101.5 deg C
 VP (exp database): 2.34E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00134 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.74 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 2.2e+005 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Water Sol (Exper. database match) = 1350 mg/L (30 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 220000.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Wat Sol (Exper. database match) = 1350.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.41E-011 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.43E-10 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.635E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.74 (KowWin est)
 Log Kaw used: -8.233 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 6.493
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8501
 Biowin2 (Non-Linear Model) : 0.9533
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.7294 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.4890 (hours-days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8066
 Biowin6 (MITI Non-Linear Model): 0.8999
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.2096
 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): 0.179 Pa (0.00134 mm Hg)
 Log Koa (Koawin est ): 6.493
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.68E-005 
 Octanol/air (Koa) model: 7.64E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000606 
 Mackay model : 0.00134 
 Octanol/air (Koa) model: 6.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec
 Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.895
 Log Koc: 0.278 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: -1.74 (estimated)

 Volatilization from Water:
 Henry LC: 1.43E-010 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.885E+006 hours (1.619E+005 days)
 Half-Life from Model Lake : 4.238E+007 hours (1.766E+006 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.00504 247 1000 
 Water 34.5 208 1000 
 Soil 65.5 416 1000 
 Sediment 0.0596 1.87e+003 0 
 Persistence Time: 387 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -1.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method)
 Melting Pt (deg C): 62.97 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0056 (Modified Grain method)
 MP (exp database): 101.5 deg C
 VP (exp database): 2.34E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00134 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -1.74 (estimated)
 no-melting pt equation used
 Water Sol (Exper. database match) = 2.2e+005 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Water Sol (Exper. database match) = 1350 mg/L (30 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 220000.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
 Wat Sol (Exper. database match) = 1350.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.41E-011 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 1.43E-10 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.635E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -1.74 (KowWin est)
 Log Kaw used: -8.233 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 6.493
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8501
 Biowin2 (Non-Linear Model) : 0.9533
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.7294 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.4890 (hours-days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8066
 Biowin6 (MITI Non-Linear Model): 0.8999
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 1.2096
 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): 0.179 Pa (0.00134 mm Hg)
 Log Koa (Koawin est ): 6.493
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.68E-005 
 Octanol/air (Koa) model: 7.64E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000606 
 Mackay model : 0.00134 
 Octanol/air (Koa) model: 6.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec
 Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.895
 Log Koc: 0.278 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: -1.74 (estimated)

 Volatilization from Water:
 Henry LC: 1.43E-010 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 3.885E+006 hours (1.619E+005 days)
 Half-Life from Model Lake : 4.238E+007 hours (1.766E+006 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.00504 247 1000 
 Water 34.5 208 1000 
 Soil 65.5 416 1000 
 Sediment 0.0596 1.87e+003 0 
 Persistence Time: 387 hr

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Question
What is the right structure for an essay
Answer
A paragraph is a related group of sentences that develops one main idea. Each paragraph in the body of the essay should contain:
  • a topic sentence that states the main or controlling idea
  • supporting sentences to explain and develop the point you’re making
  • evidence from your reading or an example from the subject area that supports your point
  • analysis of the implication/significance/impact of the evidence finished off with a critical conclusion you have drawn from the evidence.