Found 76 results

Search term: MF = 'C_{6}H_{10}Br_{2}'
ChemSpider 2D Image | 1,1-Dibromo-2,2,3-trimethylcyclopropane | C6H10Br2

1,1-Dibromo-2,2,3-trimethylcyclopropane

  • Molecular FormulaC6H10Br2
  • Average mass241.952 Da
  • Monoisotopic mass239.914917 Da
  • ChemSpider ID484520

More details:

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

1,1-Dibrom-2,2,3-trimethylcyclopropan [German] [ACD/IUPAC Name]
1,1-Dibromo-2,2,3-trimethylcyclopropane [ACD/IUPAC Name]
1,1-Dibromo-2,2,3-triméthylcyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1,1-dibromo-2,2,3-trimethyl- [ACD/Index Name]
21960-71-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 169.1±13.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.9±3.0 kJ/mol
Flash Point: 47.5±19.1 °C
Index of Refraction: 1.537
Molar Refractivity: 43.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.79
ACD/KOC (pH 5.5): 1918.15
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.79
ACD/KOC (pH 7.4): 1918.15
Polar Surface Area: 0 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 138.8±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) =  3.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  186.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.86  (Modified Grain method)
    Subcooled liquid VP: 0.915 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):  23.34
       log Kow used: 3.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23.658 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.78E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.173E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.57  (KowWin est)
  Log Kaw used:  -1.138  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.708
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1722
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2981  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2625  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3347
   Biowin6 (MITI Non-Linear Model):   0.0078
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6865
 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):  122 Pa (0.915 mm Hg)
  Log Koa (Koawin est  ): 4.708
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-008 
       Octanol/air (Koa) model:  1.25E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.88E-007 
       Mackay model           :  1.97E-006 
       Octanol/air (Koa) model:  1E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5138 E-12 cm3/molecule-sec
      Half-Life =    20.819 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.43E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  271.6
      Log Koc:  2.434 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.090E-013  L/mol-sec
  Kb Half-Life at pH 8: 2.014E+011  years  
  Kb Half-Life at pH 7: 2.014E+012  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.050 (BCF = 112.2)
       log Kow used: 3.57 (estimated)

 Volatilization from Water:
    Henry LC:  0.00178 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.099  hours
    Half-Life from Model Lake :      153.3  hours   (6.388 days)

 Removal In Wastewater Treatment:
    Total removal:              48.60  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    11.84  percent
    Total to Air:               36.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.73            500          1000       
   Water     12              900          1000       
   Soil      79.3            1.8e+003     1000       
   Sediment  1.03            8.1e+003     0          
     Persistence Time: 715 hr

Click to predict properties on the Chemicalize site


Advertisement