Found 14 results

Search term: MF = 'C_{20}H_{10}O_{8}'
ChemSpider 2D Image | 6-Hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c]chromen-2-yl)-2H-chromene-2,4(3H)-dione | C20H10O8

6-Hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c]chromen-2-yl)-2H-chromene-2,4(3H)-dione

  • Molecular FormulaC20H10O8
  • Average mass378.289 Da
  • Monoisotopic mass378.037567 Da
  • ChemSpider ID9397719

More details:

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

2H-1-Benzopyran-2,4(3H)-dione, 6-hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c][1]benzopyran-2-yl)- [ACD/Index Name]
6-Hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c]chromen-2-yl)-2H-chromen-2,4(3H)-dion [German] [ACD/IUPAC Name]
6-Hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c]chromen-2-yl)-2H-chromene-2,4(3H)-dione [ACD/IUPAC Name]
6-Hydroxy-3-(8-hydroxy-4-oxo-4H-furo[3,2-c]chromén-2-yl)-2H-chromène-2,4(3H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.08
ACD/KOC (pH 5.5): 377.84
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 16.24
ACD/KOC (pH 7.4): 218.49
Polar Surface Area: 123 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 228.3±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) =  1.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  642.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  279.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.71E-017  (Modified Grain method)
    Subcooled liquid VP: 3.03E-014 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):  70.39
       log Kow used: 1.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2265.1 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.84E-020  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.331E-019 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.45  (KowWin est)
  Log Kaw used:  -17.935  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.385
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2089
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6590  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7485  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5681
   Biowin6 (MITI Non-Linear Model):   0.3568
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2000
 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):  4.04E-012 Pa (3.03E-014 mm Hg)
  Log Koa (Koawin est  ): 19.385
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.43E+005 
       Octanol/air (Koa) model:  5.96E+006 
   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 =  82.5088 E-12 cm3/molecule-sec
      Half-Life =     0.130 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.556 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  7813
      Log Koc:  3.893 

 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 = -0.420 (BCF = 0.3803)
       log Kow used: 1.45 (estimated)

 Volatilization from Water:
    Henry LC:  2.84E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  4.01E+016  hours   (1.671E+015 days)
    Half-Life from Model Lake : 4.374E+017  hours   (1.823E+016 days)

 Removal In Wastewater Treatment:
    Total removal:               1.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  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       1.93e-005       3.11         1000       
   Water     33.8            900          1000       
   Soil      66.1            1.8e+003     1000       
   Sediment  0.0833          8.1e+003     0          
     Persistence Time: 1.17e+003 hr

Click to predict properties on the Chemicalize site


Advertisement