ChemSpider 2D Image | disiamylborane | C10H23B

disiamylborane

  • Molecular FormulaC10H23B
  • Average mass154.101 Da
  • Monoisotopic mass154.189285 Da
  • ChemSpider ID167251

More details:



Featured data source



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

disiamylborane
1069-54-1 [RN]
2O6VD8483R
Bis(1,2-dimethylpropyl)borane
BIS(1,2-DIMETHYLPROPYL)BORANE, (MESO)-
Bis(3-methyl-2-butanyl)boran [German] [ACD/IUPAC Name]
Bis(3-methyl-2-butanyl)borane [ACD/IUPAC Name]
Bis(3-méthyl-2-butanyl)borane [French] [ACD/IUPAC Name]
Bis(3-methyl-2-butyl)borane
Bis(3-methylbutan-2-yl)borane
More...

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

5974RXQ77H [DBID]

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

Density:
Boiling Point: 185.0±23.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.4±3.0 kJ/mol
Flash Point: 65.7±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#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) =  6.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  42.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  408  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.125
       log Kow used: 6.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.042883 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]:  6.619E+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)         :  -0.2455
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7980  (months      )
   Biowin4 (Primary Survey Model) :   2.8582  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4916
   Biowin6 (MITI Non-Linear Model):   0.4826
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4055
 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):  5.41E+004 Pa (406 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.54E-011 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2E-009 
       Mackay model           :  4.43E-009 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.4673 E-12 cm3/molecule-sec
      Half-Life =     1.654 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.846 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.22E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1795
      Log Koc:  3.254 

 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 = 4.498 (BCF = 3.147e+004)
       log Kow used: 6.75 (estimated)

 Volatilization from Water:
    Henry LC:  662 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.267  hours
    Half-Life from Model Lake :      117.9  hours   (4.913 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    59.64  percent
    Total to Air:               40.18  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.922           39.7         1000       
   Water     2.47            1.44e+003    1000       
   Soil      0.27            2.88e+003    1000       
   Sediment  96.3            1.3e+004     0          
     Persistence Time: 2.77e+003 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form