ChemSpider 2D Image | Vinyldifluoroborane | C2H3BF2

Vinyldifluoroborane

  • Molecular FormulaC2H3BF2
  • Average mass75.853 Da
  • Monoisotopic mass76.029587 Da
  • ChemSpider ID119961

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Borane, ethenyldifluoro- [ACD/Index Name]
Difluor(vinyl)boran [German] [ACD/IUPAC Name]
Difluoro(vinyl)borane [ACD/IUPAC Name]
Difluoro(vinyl)borane [French] [ACD/IUPAC Name]
Vinyldifluoroborane
358-95-2 [RN]
37113-08-9 [RN]
BORANE,ETHENYLDIFLUORO- (9CI)
Difluorovinylborane
Ethenyldifluoroborane

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

Density: 0.8±0.1 g/cm3
Boiling Point: -19.9±23.0 °C at 760 mmHg
Vapour Pressure: 3510.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.3±3.0 kJ/mol
Flash Point: -58.2±22.6 °C
Index of Refraction: 1.263
Molar Refractivity: 14.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.50
ACD/KOC (pH 5.5): 270.05
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.50
ACD/KOC (pH 7.4): 270.05
Polar Surface Area: 0 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 9.4±3.0 dyne/cm
Molar Volume: 89.5±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) =  1.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -33.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -153.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.98E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.456e+004
       log Kow used: 1.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9326.4 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:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.209E-003 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)         :   0.7114
   Biowin2 (Non-Linear Model)     :   0.8734
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0315  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7383  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5398
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6155
 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):  5.91E+005 Pa (4.43E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-010 
       Mackay model           :  4.06E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.3000 E-12 cm3/molecule-sec
      Half-Life =     0.407 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.880 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.95E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 0.166 (BCF = 1.466)
       log Kow used: 1.12 (estimated)

 Volatilization from Water:
    Henry LC:  0.00521 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.9866  hours   (59.20 min)
    Half-Life from Model Lake :      83.79  hours   (3.491 days)

 Removal In Wastewater Treatment:
    Total removal:              92.99  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.39  percent
    Total to Air:               92.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.1            9.19         1000       
   Water     84.4            360          1000       
   Soil      2.31            720          1000       
   Sediment  0.174           3.24e+003    0          
     Persistence Time: 73.1 hr




                    

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