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Search term: 4053-08-1 (Found by approved synonym)
ChemSpider 2D Image | 8,8'-(Oxydicarbonyl)bis(5-chloro-1-naphthoic acid) | C24H12Cl2O7

8,8'-(Oxydicarbonyl)bis(5-chloro-1-naphthoic acid)

  • Molecular FormulaC24H12Cl2O7
  • Average mass483.254 Da
  • Monoisotopic mass481.996002 Da
  • ChemSpider ID19970972

More details:

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

223-760-7 [EINECS]
4053-08-1 [RN]
8,8'-(Oxydicarbonyl)bis(5-chlor-1-naphthoesäure) [German] [ACD/IUPAC Name]
8,8'-(Oxydicarbonyl)bis(5-chloro-1-naphthoic acid) [ACD/IUPAC Name]
Acide 8,8'-(oxydicarbonyl)bis(5-chloro-1-naphtoïque) [French] [ACD/IUPAC Name]
4-CHLORONAPHTHALENE-1 8-DICARBOXYLIC ANHYDRIDE
4-chloronaphthalene-1,8-dicarboxylic anhydride

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

Density: 1.6±0.1 g/cm3
Boiling Point: 798.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.7±32.9 °C
Index of Refraction: 1.738
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 2.87
Polar Surface Area: 118 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 303.9±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) =  5.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  652.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  283.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.19E-015  (Modified Grain method)
    Subcooled liquid VP: 3.08E-012 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):  0.0008974
       log Kow used: 5.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0051805 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.96E-018  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.969E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.74  (KowWin est)
  Log Kaw used:  -15.917  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.657
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5064
   Biowin2 (Non-Linear Model)     :   0.0457
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8938  (months      )
   Biowin4 (Primary Survey Model) :   2.8353  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1229
   Biowin6 (MITI Non-Linear Model):   0.0031
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3916
 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):  4.11E-010 Pa (3.08E-012 mm Hg)
  Log Koa (Koawin est  ): 21.657
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.31E+003 
       Octanol/air (Koa) model:  1.11E+009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.8971 E-12 cm3/molecule-sec
      Half-Life =     2.184 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.210 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.619E+004
      Log Koc:  4.821 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  6.333E+003  L/mol-sec
  Kb Half-Life at pH 8:       1.824  minutes
  Kb Half-Life at pH 7:      18.240  minutes

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.750 (BCF = 5.623)
       log Kow used: 5.74 (estimated)

 Volatilization from Water:
    Henry LC:  2.96E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.348E+014  hours   (1.812E+013 days)
    Half-Life from Model Lake : 4.744E+015  hours   (1.976E+014 days)

 Removal In Wastewater Treatment:
    Total removal:              90.65  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    89.89  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.02e-006       52.4         1000       
   Water     3.15            1.44e+003    1000       
   Soil      55.3            2.88e+003    1000       
   Sediment  41.6            1.3e+004     0          
     Persistence Time: 4.76e+003 hr

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