Please enter something
Home Page Flashcards 4-Fluorophenethylamine C8H10FN structure - Flashcards

4-Fluorophenethylamine C8H10FN structure – Flashcards

Flashcard maker : Sara Graham

Molecular Formula C8H10FN
Average mass 139.170 Da
Density 1.1±0.1 g/cm3
Boiling Point 251.7±0.0 °C at 760 mmHg
Flash Point 78.9±0.0 °C
Molar Refractivity 39.3±0.3 cm3
Polarizability 15.6±0.5 10-24cm3
Surface Tension 36.6±3.0 dyne/cm
Molar Volume 130.1±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties

    • Experimental Boiling Point:

      50-52 deg C / 0.1 mmHg (317.8095-321.3192 °C / 760 mmHg)
      Manchester Organics A18022
      50-52 °C Matrix Scientific
      50-52 °C Alfa Aesar H61791
      50-52 °C Matrix Scientific 075296
      50-52 °C / 0.15 mmHg (306.135-309.5784 °C / 760 mmHg)
      SynQuest 51873, 3630-3-X1

    • Experimental LogP:

      1.51 Vitas-M STL163864

    • Experimental Flash Point:

      79 °C Alfa Aesar
      79 °F (26.1111 °C)
      Alfa Aesar H61791
      79 °C SynQuest 51873, 3630-3-X1
      79 °C LabNetwork LN00009057

    • Experimental Gravity:

      25 g/mL SynQuest 3630-3-X1
      1.061 g/mL Alfa Aesar H61791
      1.061 g/mL Matrix Scientific 075296
      1.061 g/mL SynQuest 3630-3-X1

    • Experimental Refraction Index:

      1.5072 SynQuest 51873, 3630-3-X1
  • Miscellaneous

    • Appearance:

      Yellow liquid Novochemy
      [NC-29974]

    • Safety:

      20/21/36/37/39 Novochemy
      [NC-29974]
      23/24/25-34 Alfa Aesar H61791
      36/37/38 Novochemy
      [NC-29974]
      4-9-20-23-26-27-36/37/39-45-60 Alfa Aesar H61791
      8 Alfa Aesar H61791
      Danger Alfa Aesar H61791
      Danger Biosynth W-107996
      GHS02; GHS07; GHS09 Novochemy
      [NC-29974]
      GHS05; GHS06 Biosynth W-107996
      H301; H311; H314; H331 Biosynth W-107996
      H301-H311-H330-H314 Alfa Aesar H61791
      H332; H403 Novochemy
      [NC-29974]
      IRRITANT Matrix Scientific 075296
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy
      [NC-29974]
      P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501a Alfa Aesar H61791
      P261; P280; P305+P351+P338; P310 Biosynth W-107996
      R52/53 Novochemy
      [NC-29974]
      Warning Novochemy
      [NC-29974]
  • Gas Chromatography

    • Retention Index (Kovats):

      1111 (estimated with error: 89) NIST Spectra mainlib_237858, replib_108036

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

Density: 1.1±0.1 g/cm3
Boiling Point: 251.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 78.9±0.0 °C
Index of Refraction: 1.516
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

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

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method)
 Melting Pt (deg C): 16.11 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.176e+004
 log Kow used: 1.54 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 10089 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 9.48E-007 atm-m3/mole
 Group Method: 5.11E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.54 (KowWin est)
 Log Kaw used: -4.412 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.952
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.0798
 Biowin2 (Non-Linear Model) : 0.0004
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6352 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3754
 Biowin6 (MITI Non-Linear Model): 0.0068
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5359
 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): 45.7 Pa (0.343 mm Hg)
 Log Koa (Koawin est ): 5.952
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 6.56E-008 
 Octanol/air (Koa) model: 2.2E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 2.37E-006 
 Mackay model : 5.25E-006 
 Octanol/air (Koa) model: 1.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec
 Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 3.584 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1162
 Log Koc: 3.065 

 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 = 0.484 (BCF = 3.051)
 log Kow used: 1.54 (estimated)

 Volatilization from Water:
 Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1353 hours (56.37 days)
 Half-Life from Model Lake : 1.486E+004 hours (619.1 days)

 Removal In Wastewater Treatment:
 Total removal: 2.01 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.468 7.17 1000 
 Water 40.3 900 1000 
 Soil 59.1 1.8e+003 1000 
 Sediment 0.104 8.1e+003 0 
 Persistence Time: 694 hr

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds
New
Get unstuck with AI assistant right now
  • Enter your topic/question
  • Receive an explanation
Pro tips to get quality response
  • Ask one question at a time
  • Enter a specific assignment topic
  • Aim at least 500 characters
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.