ChemSpider 2D Image | Boron trichloride | BCl3

Boron trichloride

  • Molecular FormulaBCl3
  • Average mass117.170 Da
  • Monoisotopic mass115.915863 Da
  • ChemSpider ID23480

More details:






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

10294-34-5 [RN]
233-658-4 [EINECS]
Borane, trichloro- [ACD/Index Name]
Boron trichloride [Wiki]
Chlorure de bore [French]
MFCD00011313 [MDL number]
Trichlorboran [German] [ACD/IUPAC Name]
Trichloroborane [ACD/IUPAC Name]
Trichloroborane [French] [ACD/IUPAC Name]
31012-04-1 [RN]
More...

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

ED1925000 [DBID]
K748471RAG [DBID]
178934_ALDRICH [DBID]
211249_ALDRICH [DBID]
295019_ALDRICH [DBID]
345458_ALDRICH [DBID]
345687_ALDRICH [DBID]
348325_ALDRICH [DBID]
678732_ALDRICH [DBID]
HSDB 326 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-14-26/28-34-62-51/53-65-67 Alfa Aesar H32833
      23-25-26-28-36/37/39-45 Alfa Aesar H32751
      23-26-28-36/37/39-45-57 Alfa Aesar H32833
      26/28-34-40 Alfa Aesar H32751
      3 Alfa Aesar H32833
      6.1 Alfa Aesar H32751
      Danger Alfa Aesar H32751, H32833
      H224-H300-H330-H304-H361-H314-H336-H411-EUH014 Alfa Aesar H32833
      H301-H331-H314-H351 Alfa Aesar H32751
      P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501a Alfa Aesar H32833
      P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar H32751

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 12.5±9.0 °C at 760 mmHg
Vapour Pressure: 1179.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.8±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.389
Molar Refractivity: 20.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.12
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: 7.9±0.5 10-24cm3
Surface Tension: 22.5±3.0 dyne/cm
Molar Volume: 84.6±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) =  1.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  489.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  183.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.17E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -107 deg C
    BP  (exp database):  12.5 deg C
    VP  (exp database):  1.00E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.051e+004
       log Kow used: 1.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28604 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]:  1.115E-002 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)         :   0.6918
   Biowin2 (Non-Linear Model)     :   0.7933
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9402  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6787  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3636
   Biowin6 (MITI Non-Linear Model):   0.2980
 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):  133 Pa (1 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-007 
       Mackay model           :  1.8E-006 
       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): 1.31E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.193 (BCF = 1.559)
       log Kow used: 1.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.0111 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.161  hours
    Half-Life from Model Lake :      103.4  hours   (4.31 days)

 Removal In Wastewater Treatment:
    Total removal:              87.02  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.48  percent
    Total to Air:               86.51  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.6            1e+005       1000       
   Water     42.4            360          1000       
   Soil      1.88            720          1000       
   Sediment  0.0882          3.24e+003    0          
     Persistence Time: 147 hr




                    

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