ChemSpider 2D Image | 1,1'-(Chloromethylene)bis(4-methoxybenzene) | C15H15ClO2

1,1'-(Chloromethylene)bis(4-methoxybenzene)

  • Molecular FormulaC15H15ClO2
  • Average mass262.731 Da
  • Monoisotopic mass262.076050 Da
  • ChemSpider ID8881987

More details:

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

1,1'-(Chlormethylen)bis(4-methoxybenzol) [German] [ACD/IUPAC Name]
1,1'-(Chloromethylene)bis(4-methoxybenzene) [ACD/IUPAC Name]
1,1'-(Chlorométhylène)bis(4-méthoxybenzène) [French] [ACD/IUPAC Name]
Benzene, 1,1'-(chloromethylene)bis[4-methoxy- [ACD/Index Name]
1-[chloro(4-methoxyphenyl)methyl]-4-methoxybenzene
4,4'-(Chloromethylene)bis(methoxybenzene)
7525-23-7 [RN]
bis(4-methoxyphenyl)chloromethane
Bis(4-methoxyphenyl)methyl chloride
bis(p-methoxyphenyl)methyl chloride
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 384.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 143.9±23.1 °C
    Index of Refraction: 1.558
    Molar Refractivity: 73.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 703.68
    ACD/KOC (pH 5.5): 3799.74
    ACD/LogD (pH 7.4): 4.05
    ACD/BCF (pH 7.4): 703.68
    ACD/KOC (pH 7.4): 3799.74
    Polar Surface Area: 18 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 38.1±3.0 dyne/cm
    Molar Volume: 229.0±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) =  4.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  347.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  106.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.46E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000153 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):  6.654
       log Kow used: 4.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.57503 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.92E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.278E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.07  (KowWin est)
  Log Kaw used:  -4.616  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.686
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7749
   Biowin2 (Non-Linear Model)     :   0.8723
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3291  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5223  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3789
   Biowin6 (MITI Non-Linear Model):   0.1430
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2880
 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):  0.0204 Pa (0.000153 mm Hg)
  Log Koa (Koawin est  ): 8.686
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000147 
       Octanol/air (Koa) model:  0.000119 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00528 
       Mackay model           :  0.0116 
       Octanol/air (Koa) model:  0.00944 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.3186 E-12 cm3/molecule-sec
      Half-Life =     0.353 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.233 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00846 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9657
      Log Koc:  3.985 

 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 = 2.437 (BCF = 273.8)
       log Kow used: 4.07 (estimated)

 Volatilization from Water:
    Henry LC:  5.92E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1605  hours   (66.86 days)
    Half-Life from Model Lake : 1.764E+004  hours   (735.1 days)

 Removal In Wastewater Treatment:
    Total removal:              33.38  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.01  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.303           8.47         1000       
   Water     16.4            900          1000       
   Soil      78.7            1.8e+003     1000       
   Sediment  4.57            8.1e+003     0          
     Persistence Time: 1.14e+003 hr

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