arsenic pentafluoride AsF5 structure

AsF5 structure
Molecular Formula AsF5
Average mass 169.914 Da
Density
Boiling Point -53.0±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

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

Density:
Boiling Point: -53.0±9.0 °C at 760 mmHg
Vapour Pressure: 9966.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 20.8±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) = 0.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 473.71 (Adapted Stein & Brown method)
 Melting Pt (deg C): 161.69 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 4.98E-009 (Modified Grain method)
 Subcooled liquid VP: 1.26E-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): 1.67e+004
 log Kow used: 0.66 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 48915 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.45E-007 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 6.667E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.66 (KowWin est)
 Log Kaw used: -4.999 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.659
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6667
 Biowin2 (Non-Linear Model) : 0.6447
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8237 (weeks )
 Biowin4 (Primary Survey Model) : 3.6026 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2935
 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): 1.68E-005 Pa (1.26E-007 mm Hg)
 Log Koa (Koawin est ): 5.659
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.179 
 Octanol/air (Koa) model: 1.12E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.866 
 Mackay model : 0.935 
 Octanol/air (Koa) model: 8.96E-006 

 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): 0.9 (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: 0.66 (estimated)

 Volatilization from Water:
 Henry LC: 2.45E-007 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 3116 hours (129.8 days)
 Half-Life from Model Lake : 3.411E+004 hours (1421 days)

 Removal In Wastewater Treatment:
 Total removal: 1.88 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.77 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 1.84 1e+005 1000 
 Water 38 360 1000 
 Soil 60.1 720 1000 
 Sediment 0.0725 3.24e+003 0 
 Persistence Time: 533 hr




 

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