ChemSpider 2D Image | difluorodiphenylmethane | C13H10F2

difluorodiphenylmethane

  • Molecular FormulaC13H10F2
  • Average mass204.215 Da
  • Monoisotopic mass204.075058 Da
  • ChemSpider ID2059370

More details:

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

1,1'-(Difluormethylen)dibenzol [German] [ACD/IUPAC Name]
1,1'-(Difluoromethylene)dibenzene [ACD/IUPAC Name]
1,1'-(Difluorométhylène)dibenzène [French] [ACD/IUPAC Name]
360-11-2 [RN]
Benzene, 1,1'-(difluoromethylene)bis- [ACD/Index Name]
Difluoro diphenyl methane
difluorodiphenylmethane
(Bis-(4-fluorophenyl)methane)
(difluorophenylmethyl)benzene
[difluoro(phenyl)methyl]benzene
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 95.8±13.8 °C
Index of Refraction: 1.526
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1518.85
ACD/KOC (pH 5.5): 6590.64
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1518.85
ACD/KOC (pH 7.4): 6590.64
Polar Surface Area: 0 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 180.6±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) =  4.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  255.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.019  (Modified Grain method)
    Subcooled liquid VP: 0.0201 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):  10.63
       log Kow used: 4.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.56641 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.90E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.803E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (KowWin est)
  Log Kaw used:  -1.110  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.320
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7226
   Biowin2 (Non-Linear Model)     :   0.8791
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5798  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4094  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2891
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0161
 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):  2.68 Pa (0.0201 mm Hg)
  Log Koa (Koawin est  ): 5.320
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-006 
       Octanol/air (Koa) model:  5.13E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.04E-005 
       Mackay model           :  8.95E-005 
       Octanol/air (Koa) model:  4.1E-006 

 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): 6.5E-005 (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 = 2.540 (BCF = 346.4)
       log Kow used: 4.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.0019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.899  hours
    Half-Life from Model Lake :      140.5  hours   (5.856 days)

 Removal In Wastewater Treatment:
    Total removal:              61.95  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    34.00  percent
    Total to Air:               27.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.85            29.9         1000       
   Water     9.33            900          1000       
   Soil      85.2            1.8e+003     1000       
   Sediment  3.59            8.1e+003     0          
     Persistence Time: 899 hr

Click to predict properties on the Chemicalize site


Advertisement