Found 1 result

Search term: 18282-59-2 (Found by approved synonym)
ChemSpider 2D Image | 4-Bromo-1,2-dichlorobenzene | C6H3BrCl2

4-Bromo-1,2-dichlorobenzene

  • Molecular FormulaC6H3BrCl2
  • Average mass225.898 Da
  • Monoisotopic mass223.879517 Da
  • ChemSpider ID13881395

More details:

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

18282-59-2 [RN]
242-160-6 [EINECS]
4-Brom-1,2-dichlorbenzol [German] [ACD/IUPAC Name]
4-Bromo-1,2-dichlorobenzene [ACD/IUPAC Name]
4-Bromo-1,2-dichlorobenzène [French] [ACD/IUPAC Name]
Benzene, 4-bromo-1,2-dichloro- [ACD/Index Name]
[18282-59-2] [RN]
1,4-Butanediol dimethacrylate
104944-18-5 [RN]
1-Bromo-3, 4-dichlorobenzene
More...

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

MFCD00040849 [DBID]
412023_ALDRICH [DBID]
CCRIS 4693 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 237.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 104.1±11.9 °C
Index of Refraction: 1.590
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 815.29
ACD/KOC (pH 5.5): 4222.00
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 815.29
ACD/KOC (pH 7.4): 4222.00
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 129.5±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) =  4.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  227.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  37.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0542  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  25 deg C
    BP  (exp database):  237 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.759
       log Kow used: 4.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  27.16 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.18E-003  atm-m3/mole
   Group Method:   1.62E-003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.839E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.17  (KowWin est)
  Log Kaw used:  -1.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.487
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1648
   Biowin2 (Non-Linear Model)     :   0.0027
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1508  (months      )
   Biowin4 (Primary Survey Model) :   3.0376  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2439
   Biowin6 (MITI Non-Linear Model):   0.0710
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2548
 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):  6.89 Pa (0.0517 mm Hg)
  Log Koa (Koawin est  ): 5.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.35E-007 
       Octanol/air (Koa) model:  7.53E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.57E-005 
       Mackay model           :  3.48E-005 
       Octanol/air (Koa) model:  6.03E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2521 E-12 cm3/molecule-sec
      Half-Life =    42.427 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.53E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  717.6
      Log Koc:  2.856 

 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 = 2.512 (BCF = 325.4)
       log Kow used: 4.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.00162 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.077  hours
    Half-Life from Model Lake :      148.7  hours   (6.195 days)

 Removal In Wastewater Treatment:
    Total removal:              58.82  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    32.67  percent
    Total to Air:               25.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.03            1.02e+003    1000       
   Water     6.85            1.44e+003    1000       
   Soil      86              2.88e+003    1000       
   Sediment  3.1             1.3e+004     0          
     Persistence Time: 1.35e+003 hr

Click to predict properties on the Chemicalize site


Advertisement