ChemSpider 2D Image | 10,10'-Bi(trispiro[2.0.2~4~.0.2~7~.1~3~]decan)-10(10')-ene | C20H24

10,10'-Bi(trispiro[2.0.24.0.27.13]decan)-10(10')-ene

  • Molecular FormulaC20H24
  • Average mass264.405 Da
  • Monoisotopic mass264.187805 Da
  • ChemSpider ID2032988

More details:

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

10,10'-Bi(trispiro[2.0.24.0.27.13]decan)-10(10')-en [German] [ACD/IUPAC Name]
10,10'-Bi(trispiro[2.0.24.0.27.13]decan)-10(10')-ene [ACD/IUPAC Name]
10,10'-Bi(trispiro[2.0.24.0.27.13]décan)-10(10')-ène [French] [ACD/IUPAC Name]
Trispiro[2.0.2.0.2.1]decane, 10-trispiro[2.0.2.0.2.1]dec-10-ylidene- [ACD/Index Name]
10,10'-bi(trispiro[2.0.24.0.27.13]decan)-10(10')-ene (en)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 64.1±0.8 kJ/mol
Flash Point: 178.4±14.4 °C
Index of Refraction: 1.694
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10306.15
ACD/KOC (pH 5.5): 25951.57
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10306.15
ACD/KOC (pH 7.4): 25951.57
Polar Surface Area: 0 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 202.7±5.0 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) =  8.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  312.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000191  (Modified Grain method)
    Subcooled liquid VP: 0.0019 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):  0.0003174
       log Kow used: 8.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00045261 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.81E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.094E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.49  (KowWin est)
  Log Kaw used:  0.060  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.430
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4819
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.3421  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5456  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5679
   Biowin6 (MITI Non-Linear Model):   0.5311
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.6095
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   9.0419
     BioHC Half-Life (days)     : 1101341312.0000

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.253 Pa (0.0019 mm Hg)
  Log Koa (Koawin est  ): 8.430
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-005 
       Octanol/air (Koa) model:  6.61E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000428 
       Mackay model           :  0.000946 
       Octanol/air (Koa) model:  0.00526 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 110.3391 E-12 cm3/molecule-sec
      Half-Life =     0.097 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.163 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.000687 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.272E+005
      Log Koc:  5.797 

 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 = 2.762 (BCF = 577.9)
       log Kow used: 8.49 (estimated)

 Volatilization from Water:
    Henry LC:  0.0281 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.693  hours
    Half-Life from Model Lake :      154.8  hours   (6.451 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.19  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0101          2.29         1000       
   Water     0.754           4.32e+003    1000       
   Soil      39.2            8.64e+003    1000       
   Sediment  60              3.89e+004    0          
     Persistence Time: 1.06e+004 hr

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