Found 1 result

Search term: 2392-48-5 (Found by approved synonym)
ChemSpider 2D Image | 2,4-Dichloro-1-(4-chloro-2-nitrophenoxy)benzene | C12H6Cl3NO3

2,4-Dichloro-1-(4-chloro-2-nitrophenoxy)benzene

  • Molecular FormulaC12H6Cl3NO3
  • Average mass318.540 Da
  • Monoisotopic mass316.941315 Da
  • ChemSpider ID67978

More details:

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

2,4-Dichlor-1-(4-chlor-2-nitrophenoxy)benzol [German] [ACD/IUPAC Name]
2,4-Dichloro-1-(4-chloro-2-nitrophenoxy)benzene [ACD/IUPAC Name]
2,4-Dichloro-1-(4-chloro-2-nitrophénoxy)benzène [French] [ACD/IUPAC Name]
2392-48-5 [RN]
4-chloro-1-(2,4-dichlorophenoxy)-2-nitrobenzene
4-Chloro-2-nitrophenyl 2,4-dichlorophenyl ether
Benzene, 2,4-dichloro-1-(4-chloro-2-nitrophenoxy)- [ACD/Index Name]
[2392-48-5] [RN]
219-244-6 [EINECS]
4-Chloro-2-nitrophenyl 2,4-dichlorophenylether
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 373.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 179.8±27.9 °C
Index of Refraction: 1.630
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8597.92
ACD/KOC (pH 5.5): 22794.45
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8597.92
ACD/KOC (pH 7.4): 22794.45
Polar Surface Area: 55 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 207.7±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) =  4.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  394.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  155.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.27E-007  (Modified Grain method)
    Subcooled liquid VP: 1.13E-005 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):  0.2257
       log Kow used: 4.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.14475 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.89E-007  atm-m3/mole
   Group Method:   1.44E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.787E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.96  (KowWin est)
  Log Kaw used:  -5.112  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.072
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1245
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6477  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8609  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1601
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9794
 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):  0.00151 Pa (1.13E-005 mm Hg)
  Log Koa (Koawin est  ): 10.072
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00199 
       Octanol/air (Koa) model:  0.0029 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0671 
       Mackay model           :  0.137 
       Octanol/air (Koa) model:  0.188 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.7295 E-12 cm3/molecule-sec
      Half-Life =    14.663 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.102 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.311E+004
      Log Koc:  4.118 

 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 = 3.120 (BCF = 1318)
       log Kow used: 4.96 (estimated)

 Volatilization from Water:
    Henry LC:  1.44E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      727.5  hours   (30.31 days)
    Half-Life from Model Lake :       8086  hours   (336.9 days)

 Removal In Wastewater Treatment:
    Total removal:              76.40  percent
    Total biodegradation:        0.67  percent
    Total sludge adsorption:    75.72  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.312           352          1000       
   Water     4.03            4.32e+003    1000       
   Soil      77.8            8.64e+003    1000       
   Sediment  17.9            3.89e+004    0          
     Persistence Time: 6.53e+003 hr

Click to predict properties on the Chemicalize site


Advertisement