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Search term: MF = 'C_{14}H_{8}Cl_{2}'
ChemSpider 2D Image | 9-dichloromethylenefluorene | C14H8Cl2

9-dichloromethylenefluorene

  • Molecular FormulaC14H8Cl2
  • Average mass247.119 Da
  • Monoisotopic mass246.000305 Da
  • ChemSpider ID244271

More details:

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

9-(Dichlormethylen)-9H-fluoren [German] [ACD/IUPAC Name]
9-(Dichlorométhylène)-9H-fluorène [French] [ACD/IUPAC Name]
9-(Dichloromethylene)-9H-fluorene [ACD/IUPAC Name]
9-dichloromethylenefluorene
9H-Fluorene, 9- (dichloromethylene)-
9H-Fluorene, 9-(dichloromethylene)- [ACD/Index Name]
Fluorene, 9- (dichloromethylene)-
Fluorene, 9-(dichloromethylene)-
835-17-6 [RN]
84872-84-4 [RN]
More...

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

NSC126425 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 355.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 154.4±20.4 °C
Index of Refraction: 1.676
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15774.60
ACD/KOC (pH 5.5): 35195.40
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15774.60
ACD/KOC (pH 7.4): 35195.40
Polar Surface Area: 0 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 180.0±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) =  4.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  344.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  104.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.04E-005  (Modified Grain method)
    Subcooled liquid VP: 0.00018 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):  0.1821
       log Kow used: 4.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.29385 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.23E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.428E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.71  (KowWin est)
  Log Kaw used:  -3.040  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.750
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4071
   Biowin2 (Non-Linear Model)     :   0.0147
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3067  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2900  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0449
   Biowin6 (MITI Non-Linear Model):   0.0072
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0433
 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):  0.024 Pa (0.00018 mm Hg)
  Log Koa (Koawin est  ): 7.750
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000125 
       Octanol/air (Koa) model:  1.38E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00449 
       Mackay model           :  0.0099 
       Octanol/air (Koa) model:  0.0011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.2203 E-12 cm3/molecule-sec
      Half-Life =     0.953 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.439 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.515315 E-17 cm3/molecule-sec
      Half-Life =     2.224 Days (at 7E11 mol/cm3)
      Half-Life =     53.373 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0072 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.812E+004
      Log Koc:  4.764 

 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 = 2.924 (BCF = 839.6)
       log Kow used: 4.71 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      42.88  hours   (1.787 days)
    Half-Life from Model Lake :      599.6  hours   (24.98 days)

 Removal In Wastewater Treatment:
    Total removal:              66.64  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    65.68  percent
    Total to Air:                0.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.551           16           1000       
   Water     13.1            900          1000       
   Soil      70.6            1.8e+003     1000       
   Sediment  15.8            8.1e+003     0          
     Persistence Time: 1.23e+003 hr

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