Found 1 result

Search term: 434-85-5 (Found by approved synonym)
ChemSpider 2D Image | Bianthrone | C28H16O2

Bianthrone

  • Molecular FormulaC28H16O2
  • Average mass384.425 Da
  • Monoisotopic mass384.115021 Da
  • ChemSpider ID61265

More details:

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

10-(10-Oxo-9(10H)-anthracenyliden)-9(10H)-anthracenon [German] [ACD/IUPAC Name]
10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone [ACD/IUPAC Name]
10-(10-Oxo-9(10H)-anthracénylidène)-9(10H)-anthracénone [French] [ACD/IUPAC Name]
10-(10-Oxoanthracen-9(10H)-yliden)anthracen-9(10H)-on
10-(10-oxoanthracen-9(10H)-ylidene)anthracen-9(10H)-one
10-[10-oxoanthracen-9(10H)-ylidene]anthracen-9(10H)-one
10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione
207-106-8 [EINECS]
434-85-5 [RN]
9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)- [ACD/Index Name]
More...

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

56R67P666M [DBID]
2062684 [DBID]
AIDS132872 [DBID]
AIDS-132872 [DBID]
NCIOpen2_009646 [DBID]
NSC 89778 [DBID]
NSC627656 [DBID]
NSC89778 [DBID]
UNII:56R67P666M [DBID]
ZINC01575621 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 208.4±27.1 °C
Index of Refraction: 1.728
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10076.43
ACD/KOC (pH 5.5): 25536.21
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10076.43
ACD/KOC (pH 7.4): 25536.21
Polar Surface Area: 34 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 288.1±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) =  6.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  558.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  240.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.06E-012  (Modified Grain method)
    Subcooled liquid VP: 8.6E-010 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):  0.00208
       log Kow used: 6.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.3609e-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 :   6.65E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.874E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.04  (KowWin est)
  Log Kaw used:  -10.566  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.606
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5782
   Biowin2 (Non-Linear Model)     :   0.0337
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3047  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2486  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0646
   Biowin6 (MITI Non-Linear Model):   0.0068
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4746
 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):  1.15E-007 Pa (8.6E-010 mm Hg)
  Log Koa (Koawin est  ): 16.606
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  26.2 
       Octanol/air (Koa) model:  9.91E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.6844 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.100 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  3628.799805 E-17 cm3/molecule-sec
      Half-Life =     0.000 Days (at 7E11 mol/cm3)
      Half-Life =      0.455 Min
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.395E+005
      Log Koc:  5.973 

 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 = 3.107 (BCF = 1280)
       log Kow used: 6.04 (estimated)

 Volatilization from Water:
    Henry LC:  6.65E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.726E+009  hours   (7.193E+007 days)
    Half-Life from Model Lake : 1.883E+010  hours   (7.847E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              92.32  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.55  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       0.000142        0.00755      1000       
   Water     3.92            900          1000       
   Soil      35.3            1.8e+003     1000       
   Sediment  60.8            8.1e+003     0          
     Persistence Time: 2.5e+003 hr

Click to predict properties on the Chemicalize site


Advertisement