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Search term: MF = 'C_{6}H_{10}Br_{2}'
ChemSpider 2D Image | 5,6-Dibromo-1-hexene | C6H10Br2

5,6-Dibromo-1-hexene

  • Molecular FormulaC6H10Br2
  • Average mass241.952 Da
  • Monoisotopic mass239.914917 Da
  • ChemSpider ID2036207

More details:

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

1-Hexene, 5,6-dibromo- [ACD/Index Name]
4285-48-7 [RN]
5,6-Dibrom-1-hexen [German] [ACD/IUPAC Name]
5,6-Dibromo-1-hexene [ACD/IUPAC Name]
5,6-Dibromo-1-hexène [French] [ACD/IUPAC Name]
5,6-Dibromohex-1-ene
[4285-48-7] [RN]
1,2-DIBROMO-5-HEXENE
96%
AC1MBRA4
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 228.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 98.3±23.2 °C
Index of Refraction: 1.514
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.83
ACD/KOC (pH 5.5): 1408.14
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.83
ACD/KOC (pH 7.4): 1408.14
Polar Surface Area: 0 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 149.4±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) =  3.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  201.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.473  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.96
       log Kow used: 3.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32.526 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.01E-003  atm-m3/mole
   Group Method:   1.90E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.435E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.77  (KowWin est)
  Log Kaw used:  -0.910  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.680
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5400
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7224  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5694  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3020
   Biowin6 (MITI Non-Linear Model):   0.0134
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2458
 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):  58 Pa (0.435 mm Hg)
  Log Koa (Koawin est  ): 4.680
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.17E-008 
       Octanol/air (Koa) model:  1.17E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.87E-006 
       Mackay model           :  4.14E-006 
       Octanol/air (Koa) model:  9.4E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.4049 E-12 cm3/molecule-sec
      Half-Life =     0.377 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.519 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 3E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  445
      Log Koc:  2.648 

 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 = 2.199 (BCF = 158.2)
       log Kow used: 3.77 (estimated)

 Volatilization from Water:
    Henry LC:  0.00019 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       6.38  hours
    Half-Life from Model Lake :        200  hours   (8.335 days)

 Removal In Wastewater Treatment:
    Total removal:              26.77  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    19.79  percent
    Total to Air:                6.74  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.419           6.48         1000       
   Water     12.2            900          1000       
   Soil      85.7            1.8e+003     1000       
   Sediment  1.68            8.1e+003     0          
     Persistence Time: 964 hr

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