ChemSpider 2D Image | Boron carbide | CB4

Boron carbide

  • Molecular FormulaCB4
  • Average mass55.255 Da
  • Monoisotopic mass56.037224 Da
  • ChemSpider ID109889

More details:






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

12316-49-3 [RN]
2,3,4,5-Tetraboratetracyclo[2.1.0.01,3.02,5]pentan [German] [ACD/IUPAC Name]
2,3,4,5-Tetraboratetracyclo[2.1.0.01,3.02,5]pentane [ACD/Index Name] [ACD/IUPAC Name]
2,3,4,5-Tétraboratétracyclo[2.1.0.01,3.02,5]pentane [French] [ACD/IUPAC Name]
235-582-7 [EINECS]
Boron carbide
B4-C
Boron carbide (B4C)
tetra[10B]boron carbide
碳化硼 [Chinese]

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

Density: 1.0±0.1 g/cm3
Boiling Point: -83.5±23.0 °C at 760 mmHg
Vapour Pressure: 24570.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 17.2±3.0 kJ/mol
Flash Point: -96.7±22.6 °C
Index of Refraction: 1.347
Molar Refractivity: 12.4±0.4 cm3
#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: 4.9±0.5 10-24cm3
Surface Tension: 4.5±5.0 dyne/cm
Molar Volume: 58.0±5.0 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) =  1.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -70.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -112.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.24E+004  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.29e+004
       log Kow used: 1.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8867.6 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]:  4.361E-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)         :   0.5368
   Biowin2 (Non-Linear Model)     :   0.6193
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8627  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6131  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6124
   Biowin6 (MITI Non-Linear Model):   0.7859
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5019
 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):  9.75E+005 Pa (7.31E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.08E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-010 
       Mackay model           :  2.46E-010 
       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): 1.79E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  88.41
      Log Koc:  1.946 

 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 = 0.225 (BCF = 1.679)
       log Kow used: 1.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.00436 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:     0.8661  hours   (51.97 min)
    Half-Life from Model Lake :      72.34  hours   (3.014 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.50  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.34  percent
    Total to Air:               96.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.5            1e+005       1000       
   Water     42.6            360          1000       
   Soil      0.824           720          1000       
   Sediment  0.0896          3.24e+003    0          
     Persistence Time: 145 hr




                    

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