Difluoro-?3-bromane BrF2 structure – Flashcards
Flashcard maker : Ben Stevenson
Molecular Formula | BrF2 |
Average mass | Da |
Density | |
Boiling Point | |
Flash Point | |
Molar Refractivity | |
Polarizability | |
Surface Tension | |
Molar Volume |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | |
Boiling Point: | |
Vapour Pressure: | |
Enthalpy of Vaporization: | |
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) = 0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 476.53 (Adapted Stein & Brown method) Melting Pt (deg C): 162.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.19E-008 (Modified Grain method) Subcooled liquid VP: 3.12E-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): 5440 log Kow used: 0.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27284 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]: 3.394E-013 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) : 0.6914 Biowin2 (Non-Linear Model) : 0.7916 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9386 (weeks ) Biowin4 (Primary Survey Model) : 3.6776 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3961 Biowin6 (MITI Non-Linear Model): 0.0001 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): 4.16E-005 Pa (3.12E-007 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0721 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.723 Mackay model : 0.852 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): 0.787 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.655E+001 L/mol-sec Kb Half-Life at pH 8: 11.633 hours Kb Half-Life at pH 7: 4.847 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.62 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.134 hours Half-Life from Model Lake : 103.4 hours (4.309 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 41.1 1e+005 1000 Water 53.3 360 1000 Soil 5.59 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 175 hr
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