ChemSpider 2D Image | Tetraphenylmethane | C25H20

Tetraphenylmethane

  • Molecular FormulaC25H20
  • Average mass320.426 Da
  • Monoisotopic mass320.156494 Da
  • ChemSpider ID11917

More details:






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

1,1',1'',1'''-Methanetetrayltetrabenzene [ACD/IUPAC Name]
1,1',1'',1'''-Méthanetétrayltetrabenzène [French] [ACD/IUPAC Name]
1,1',1'',1'''-Methantetrayltetrabenzol [German] [ACD/IUPAC Name]
Benzene, 1,1',1'',1'''-methanetetrayltetrakis- [ACD/Index Name]
Tetraphenylmethane [Wiki]
(triphenylmethyl)benzene
[630-76-2]
1,1',1'',1'''-Methanetetrayltetrakisbenzene
1,1¡¯,1¡¯¡¯,1¡¯¡¯¡¯-Methanethetrayltetrakis-benzen
211-144-0 [EINECS]
More...

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

BRN 1913557 [DBID]
NSC 43332 [DBID]
NSC43332 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 431.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 66.1±0.8 kJ/mol
Flash Point: 212.5±21.4 °C
Index of Refraction: 1.620
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65651.41
ACD/KOC (pH 5.5): 97670.68
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65651.41
ACD/KOC (pH 7.4): 97670.68
Polar Surface Area: 0 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 295.9±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) =  7.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  438.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  163.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.08E-009  (Modified Grain method)
    MP  (exp database):  282 deg C
    BP  (exp database):  431 deg C
    Subcooled liquid VP: 1.45E-006 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):  0.00911
       log Kow used: 7.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00019976 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.13E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.627E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.04  (KowWin est)
  Log Kaw used:  -3.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.933
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9234
   Biowin2 (Non-Linear Model)     :   0.9808
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3670  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2515  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0092
   Biowin6 (MITI Non-Linear Model):   0.0194
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5340
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6681
     BioHC Half-Life (days)     :  46.5734

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000193 Pa (1.45E-006 mm Hg)
  Log Koa (Koawin est  ): 10.933
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0155 
       Octanol/air (Koa) model:  0.021 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.359 
       Mackay model           :  0.554 
       Octanol/air (Koa) model:  0.627 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.1830 E-12 cm3/molecule-sec
      Half-Life =     0.622 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.470 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.457 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.689E+007
      Log Koc:  7.228 

 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 = 4.760 (BCF = 5.749e+004)
       log Kow used: 7.04 (estimated)

 Volatilization from Water:
    Henry LC:  3.13E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      336.7  hours   (14.03 days)
    Half-Life from Model Lake :       3823  hours   (159.3 days)

 Removal In Wastewater Treatment:
    Total removal:              93.86  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.08  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       0.117           14.9         1000       
   Water     1.98            900          1000       
   Soil      33.7            1.8e+003     1000       
   Sediment  64.2            8.1e+003     0          
     Persistence Time: 3.35e+003 hr




                    

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