ChemSpider 2D Image | 1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene | C24H24

1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene

  • Molecular FormulaC24H24
  • Average mass312.447 Da
  • Monoisotopic mass312.187805 Da
  • ChemSpider ID4527536

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z,3E,5E,7E,9Z,11E,13E,15E,17Z,19E,21E,23E)-1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaen [German] [ACD/IUPAC Name]
(1Z,3E,5E,7E,9Z,11E,13E,15E,17Z,19E,21E,23E)-1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene [ACD/IUPAC Name]
(1Z,3E,5E,7E,9Z,11E,13E,15E,17Z,19E,21E,23E)-1,3,5,7,9,11,13,15,17,19,21,23-Cyclotétracosadodécaène [French] [ACD/IUPAC Name]
1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene [ACD/Index Name] [ACD/IUPAC Name]
1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene, (1Z,3E,5E,7E,9Z,11E,13E,15E,17Z,19E,21E,23E)- [ACD/Index Name]
2,4,6,8,10,12,14,16,18,20,22,24-Cyclotetracosadodecaene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 508.4±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 74.9±0.8 kJ/mol
Flash Point: 241.1±15.8 °C
Index of Refraction: 1.526
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53255.52
ACD/KOC (pH 5.5): 84084.05
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53255.52
ACD/KOC (pH 7.4): 84084.05
Polar Surface Area: 0 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 345.3±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) =  9.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  426.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.24E-006  (Modified Grain method)
    Subcooled liquid VP: 4.69E-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):  2.638e-005
       log Kow used: 9.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00098528 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.02E-001  atm-m3/mole
   Group Method:   1.17E-006  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.491E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.44  (KowWin est)
  Log Kaw used:  1.216  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.224
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5988
   Biowin2 (Non-Linear Model)     :   0.1934
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5087  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3969  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0689
   Biowin6 (MITI Non-Linear Model):   0.0030
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9285
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3305
     BioHC Half-Life (days)     :   2.1402

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000625 Pa (4.69E-006 mm Hg)
  Log Koa (Koawin est  ): 8.224
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0048 
       Octanol/air (Koa) model:  4.11E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.148 
       Mackay model           :  0.277 
       Octanol/air (Koa) model:  0.00328 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 451.1290 E-12 cm3/molecule-sec
      Half-Life =     0.024 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.071 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.415000 E-17 cm3/molecule-sec
      Half-Life =     0.336 Days (at 7E11 mol/cm3)
      Half-Life =      8.054 Hrs
   Fraction sorbed to airborne particulates (phi): 0.213 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.009E+007
      Log Koc:  7.004 

 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 = 1.474 (BCF = 29.75)
       log Kow used: 9.44 (estimated)

 Volatilization from Water:
    Henry LC:  1.17E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      886.4  hours   (36.93 days)
    Half-Life from Model Lake :       9818  hours   (409.1 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.00814         0.531        1000       
   Water     1.9             900          1000       
   Soil      28              1.8e+003     1000       
   Sediment  70              8.1e+003     0          
     Persistence Time: 3.1e+003 hr

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