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Search term: 82-22-4 (Found by approved synonym)
ChemSpider 2D Image | Anthrimide | C28H15NO4

Anthrimide

  • Molecular FormulaC28H15NO4
  • Average mass429.423 Da
  • Monoisotopic mass429.100098 Da
  • ChemSpider ID6445

More details:

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

1,1'-Iminobis-9,10-anthracenedione
1,1'-Iminodi(9,10-anthrachinon) [German] [ACD/IUPAC Name]
1,1'-Iminodi(9,10-anthraquinone) [ACD/IUPAC Name]
1,1'-Iminodi(9,10-anthraquinone) [French] [ACD/IUPAC Name]
1,1'-Iminodianthra-9,10-quinone
201-405-7 [EINECS]
82-22-4 [RN]
9,10-Anthracenedione, 1,1'-iminobis- [ACD/Index Name]
Anthrimide
Dianthrimide
More...

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

717ZXC72EA [DBID]
33450_FLUKA [DBID]
AI3-28933 [DBID]
AIDS014673 [DBID]
AIDS-014673 [DBID]
BRN 2607016 [DBID]
NSC 7226 [DBID]
NSC7226 [DBID]
UNII:717ZXC72EA [DBID]
UNII-717ZXC72EA [DBID]
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 221.6±31.7 °C
Index of Refraction: 1.753
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10782.33
ACD/KOC (pH 5.5): 26804.30
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10782.33
ACD/KOC (pH 7.4): 26804.30
Polar Surface Area: 80 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 294.7±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) =  8.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  646.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  281.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.53E-015  (Modified Grain method)
    Subcooled liquid VP: 4.43E-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):  1.566e-005
       log Kow used: 8.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9858e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.66E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.356E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.19  (KowWin est)
  Log Kaw used:  -16.825  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  25.015
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3367
   Biowin2 (Non-Linear Model)     :   0.0011
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0253  (months      )
   Biowin4 (Primary Survey Model) :   3.0309  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1371
   Biowin6 (MITI Non-Linear Model):   0.0023
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3453
 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):  5.91E-010 Pa (4.43E-012 mm Hg)
  Log Koa (Koawin est  ): 25.015
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E+003 
       Octanol/air (Koa) model:  2.54E+012 
   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 = 114.1222 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.125 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    :  7.754E+005
      Log Koc:  5.890 

 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 = 2.334 (BCF = 215.8)
       log Kow used: 8.19 (estimated)

 Volatilization from Water:
    Henry LC:  3.66E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.315E+015  hours   (1.381E+014 days)
    Half-Life from Model Lake : 3.616E+016  hours   (1.507E+015 days)

 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  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       3.24e-007       2.25         1000       
   Water     1.16            1.44e+003    1000       
   Soil      42.2            2.88e+003    1000       
   Sediment  56.7            1.3e+004     0          
     Persistence Time: 6.24e+003 hr

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