Found 141 results

Search term: MF = 'C_{14}H_{10}Cl_{4}'

ChemSpider 2D Image | 1,1-DICHLORO-2-(M-CHLOROPHENYL)-2-(P-CHLOROPHENYL)ETHANE | C14H10Cl4

1,1-DICHLORO-2-(M-CHLOROPHENYL)-2-(P-CHLOROPHENYL)ETHANE

  • Molecular FormulaC14H10Cl4
  • Average mass320.041 Da
  • Monoisotopic mass317.953674 Da
  • ChemSpider ID87133

More details:






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

1,1-DICHLORO-2-(M-CHLOROPHENYL)-2-(P-CHLOROPHENYL)ETHANE
1-Chlor-3-[2,2-dichlor-1-(4-chlorphenyl)ethyl]benzol [German] [ACD/IUPAC Name]
1-Chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene [ACD/IUPAC Name]
1-Chloro-3-[2,2-dichloro-1-(4-chlorophényl)éthyl]benzène [French] [ACD/IUPAC Name]
2-(m-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane
4329-12-8 [RN]
Benzene, 1-chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]- [ACD/Index Name]
08/12/4329
1-CHLORO-3-(2,2-DICHLORO-1-(4-CHLOROPHENYL)ETHYL)BENZENE
Benzene, 1-chloro-3-(2,2-dichloro-1-(4-chlorophenyl)ethyl)- (9CI)
More...

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

RF53JOH76F [DBID]
UNII:RF53JOH76F [DBID]
C14714 [DBID]
NSC 77492 [DBID]
NSC77492 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 397.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 193.3±23.9 °C
Index of Refraction: 1.599
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16128.64
ACD/KOC (pH 5.5): 35759.03
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16128.64
ACD/KOC (pH 7.4): 35759.03
Polar Surface Area: 0 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 233.1±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) =  5.87

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  366.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  114.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.92E-006  (Modified Grain method)
    Subcooled liquid VP: 5.27E-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):  0.09024
       log Kow used: 5.87 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.019983 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.34E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.229E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.87  (KowWin est)
  Log Kaw used:  -2.751  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.621
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0622
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6575  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7856  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2202
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0084
 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):  0.00703 Pa (5.27E-005 mm Hg)
  Log Koa (Koawin est  ): 8.621
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000427 
       Octanol/air (Koa) model:  0.000103 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0152 
       Mackay model           :  0.033 
       Octanol/air (Koa) model:  0.00814 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.9477 E-12 cm3/molecule-sec
      Half-Life =     1.798 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.580 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0241 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.525E+005
      Log Koc:  5.183 

 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 = 3.823 (BCF = 6645)
       log Kow used: 5.87 (estimated)

 Volatilization from Water:
    Henry LC:  4.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      25.96  hours   (1.082 days)
    Half-Life from Model Lake :      433.2  hours   (18.05 days)

 Removal In Wastewater Treatment:
    Total removal:              91.52  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.70  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.168           43.2         1000       
   Water     1.74            4.32e+003    1000       
   Soil      52.2            8.64e+003    1000       
   Sediment  45.9            3.89e+004    0          
     Persistence Time: 8.11e+003 hr




                    

Click to predict properties on the Chemicalize site






Advertisement