ChemSpider 2D Image | Mitometh | C15H12Cl4

Mitometh

  • Molecular FormulaC15H12Cl4
  • Average mass334.068 Da
  • Monoisotopic mass331.969299 Da
  • ChemSpider ID114966

More details:






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

107465-03-2 [RN]
1-Chlor-2-[2,2-dichlor-1-(4-chlorphenyl)propyl]benzol [German] [ACD/IUPAC Name]
1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene [ACD/IUPAC Name]
1-Chloro-2-[2,2-dichloro-1-(4-chlorophényl)propyl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]- [ACD/Index Name]
Mitometh
1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)propyl)benzene
Benzene, 1-chloro-2-(2,2-dichloro-1-(4-chlorophenyl)propyl)-
DDP

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

H8MTN7XVC2 [DBID]
UNII:H8MTN7XVC2 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 195.9±24.7 °C
Index of Refraction: 1.591
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27197.25
ACD/KOC (pH 5.5): 51977.80
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27197.25
ACD/KOC (pH 7.4): 51977.80
Polar Surface Area: 0 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 249.3±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) =  7.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  361.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  121.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.86E-006  (Modified Grain method)
    Subcooled liquid VP: 7.18E-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):  0.007635
       log Kow used: 7.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0029847 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.76E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.525E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.03  (KowWin est)
  Log Kaw used:  -2.628  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.658
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1284
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4144  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6119  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1432
   Biowin6 (MITI Non-Linear Model):   0.0008
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2564
 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):  0.00957 Pa (7.18E-005 mm Hg)
  Log Koa (Koawin est  ): 9.658
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000313 
       Octanol/air (Koa) model:  0.00112 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0112 
       Mackay model           :  0.0245 
       Octanol/air (Koa) model:  0.082 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.8202 E-12 cm3/molecule-sec
      Half-Life =     2.800 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    33.598 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0178 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.249E+005
      Log Koc:  5.352 

 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 = 4.767 (BCF = 5.844e+004)
       log Kow used: 7.03 (estimated)

 Volatilization from Water:
    Henry LC:  5.76E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      20.44  hours
    Half-Life from Model Lake :      376.3  hours   (15.68 days)

 Removal In Wastewater Treatment:
    Total removal:              93.86  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.07  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.152           67.2         1000       
   Water     0.838           4.32e+003    1000       
   Soil      40.3            8.64e+003    1000       
   Sediment  58.8            3.89e+004    0          
     Persistence Time: 1.05e+004 hr




                    

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