ChemSpider 2D Image | Diphenyldichloromethane | C13H10Cl2

Diphenyldichloromethane

  • Molecular FormulaC13H10Cl2
  • Average mass237.124 Da
  • Monoisotopic mass236.015961 Da
  • ChemSpider ID15492

More details:

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

(Dichloro)diphenylmethane
[dichloro(phenyl)methyl]benzene
1,1'-(Dichlormethylen)dibenzol [German] [ACD/IUPAC Name]
1,1'-(Dichloromethylene)dibenzene [ACD/IUPAC Name]
1,1'-(Dichlorométhylène)dibenzène [French] [ACD/IUPAC Name]
2051-90-3 [RN]
218-134-5 [EINECS]
81FEZ29AK6
Benzene, 1,1'- (dichloromethylene)bis-
Benzene, 1,1'-(dichloromethylene)bis- [ACD/Index Name]
More...

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

1910601 [DBID]
35778_FLUKA [DBID]
D61407_ALDRICH [DBID]
NSC 37425 [DBID]
NSC 8071 [DBID]
NSC37425 [DBID]
NSC8071 [DBID]
ZINC01586384 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 305.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 161.0±19.8 °C
Index of Refraction: 1.589
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2260.98
ACD/KOC (pH 5.5): 8761.97
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2260.98
ACD/KOC (pH 7.4): 8761.97
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 192.5±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) =  4.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  302.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000625  (Modified Grain method)
    Subcooled liquid VP: 0.00168 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):  2.073
       log Kow used: 4.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.36276 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Benzyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.96E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.407E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.83  (KowWin est)
  Log Kaw used:  -2.613  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.443
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4841
   Biowin2 (Non-Linear Model)     :   0.1007
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1607  (months      )
   Biowin4 (Primary Survey Model) :   3.1607  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1587
   Biowin6 (MITI Non-Linear Model):   0.0180
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0454
 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):  0.224 Pa (0.00168 mm Hg)
  Log Koa (Koawin est  ): 7.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.34E-005 
       Octanol/air (Koa) model:  6.81E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000484 
       Mackay model           :  0.00107 
       Octanol/air (Koa) model:  0.000544 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.5915 E-12 cm3/molecule-sec
      Half-Life =     1.245 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.939 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000777 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.866E+004
      Log Koc:  4.457 

 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 = 3.022 (BCF = 1052)
       log Kow used: 4.83 (estimated)

 Volatilization from Water:
    Henry LC:  5.96E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       16.7  hours
    Half-Life from Model Lake :      311.3  hours   (12.97 days)

 Removal In Wastewater Treatment:
    Total removal:              71.96  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    70.58  percent
    Total to Air:                0.76  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.642           29.9         1000       
   Water     8.5             1.44e+003    1000       
   Soil      73              2.88e+003    1000       
   Sediment  17.8            1.3e+004     0          
     Persistence Time: 1.89e+003 hr

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