Bromine pentafluoride BrF5 structure

Flashcard maker : Will Walter

Molecular Formula BrF5
Average mass 174.896 Da
Density
Boiling Point 40.5±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -60.5 °C Oxford University Chemical Safety Data (No longer updated) More details
      -60.5 °C Jean-Claude Bradley Open Melting Point Dataset 16058
      -62.5 °C SynQuest M035-A-01
    • Experimental Boiling Point:

      105 F (40.5556 °C)
      NIOSH EF9350000
      40.8 °C Oxford University Chemical Safety Data (No longer updated) More details
      40.3 °C SynQuest M035-A-01
    • Experimental Vapor Pressure:

      328 mmHg NIOSH EF9350000
      328 mmHg SynQuest M035-A-01
    • Experimental Freezing Point:

      -77 F (-60.5556 °C)
      NIOSH EF9350000
    • Experimental Gravity:

      20 g/mL SynQuest M035-A-01
      2.48 g/mL SynQuest M035-A-01
    • Experimental Refraction Index:

      1.3529 SynQuest M035-A-01
    • Experimental Solubility:

      Reacts violently NIOSH EF9350000
  • Miscellaneous
    • Appearance:

      Colorless to pale-yellow, fuming liquid with a pungent odor. [Note: A colorless gas above 105F. Shipped as a compressed gas.] NIOSH EF9350000
      colourless fuming liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Strong oxidizing agent. Reacts with water, combustible materials,acids, metals. Explosion risk. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Oxidising agent SynQuest M035-A-01
      R8,R14,R26/27/28,R29,R35 SynQuest M035-A-01
      R8,R14,R29,R35 SynQuest M035-A-01
      S7/8,S17,S23,S24/25,S26,S36/37/39,S38,S45 SynQuest M035-A-01
      S8,S17,S23,S24/25,S26,S36/37/39,S38,S45 SynQuest M035-A-01
      Safety glasses and gloves. Good ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH EF9350000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH EF9350000
    • Symptoms:

      Irritation eyes, skin, respiratory system; corneal necrosis; skin burns; cough, dyspnea (breathing difficulty), pulmonary edema; liver, kidney injury NIOSH EF9350000
    • Target Organs:

      Eyes, skin, respiratory system, liver, kidneys NIOSH EF9350000
    • Incompatibility:

      Acids, halogens, arsenic, selenium, sulfur, glass, organic materials, water [Note: Reacts with all elements except inert gases, nitrogen & oxygen.] NIOSH EF9350000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench NIOSH EF9350000
    • Exposure Limits:

      NIOSH REL : TWA 0.1 ppm (0.7 mg/m 3 ) OSHA PEL ?: none NIOSH EF9350000

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

Density:
Boiling Point: 40.5±9.0 °C at 760 mmHg
Vapour Pressure: 412.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.6±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 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) = 0.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 476.72 (Adapted Stein & Brown method)
 Melting Pt (deg C): 122.34 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 3.33E-008 (Modified Grain method)
 Subcooled liquid VP: 3.09E-007 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 3161
 log Kow used: 0.61 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 13588 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : Incomplete
 Group Method: 2.45E-002 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 2.424E-012 atm-m3/mole

 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):
 Biowin1 (Linear Model) : 0.6643
 Biowin2 (Non-Linear Model) : 0.6284
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8127 (weeks )
 Biowin4 (Primary Survey Model) : 3.5954 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2787
 Biowin6 (MITI Non-Linear Model): 0.0000
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8361
 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): 4.12E-005 Pa (3.09E-007 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.0728 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.725 
 Mackay model : 0.853 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 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): 0.789 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 64.94
 Log Koc: 1.813 

 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: 0.61 (estimated)

 Volatilization from Water:
 Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1.381 hours
 Half-Life from Model Lake : 126 hours (5.248 days)

 Removal In Wastewater Treatment:
 Total removal: 90.51 percent
 Total biodegradation: 0.02 percent
 Total sludge adsorption: 0.40 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 41.3 1e+005 1000 
 Water 53.1 360 1000 
 Soil 5.5 720 1000 
 Sediment 0.101 3.24e+003 0 
 Persistence Time: 174 hr




 

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