Found 9 results

Search term: MF = 'C_{23}H_{42}'
ChemSpider 2D Image | (6E,10E)-2,6,10,14-Tetramethyl-2,6,10-nonadecatriene | C23H42

(6E,10E)-2,6,10,14-Tetramethyl-2,6,10-nonadecatriene

  • Molecular FormulaC23H42
  • Average mass318.580 Da
  • Monoisotopic mass318.328644 Da
  • ChemSpider ID4517949

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,10E)-2,6,10,14-Tetramethyl-2,6,10-nonadecatrien [German] [ACD/IUPAC Name]
(6E,10E)-2,6,10,14-Tetramethyl-2,6,10-nonadecatriene [ACD/IUPAC Name]
(6E,10E)-2,6,10,14-Tétraméthyl-2,6,10-nonadécatriène [French] [ACD/IUPAC Name]
2,6,10-Nonadecatriene, 2,6,10,14-tetramethyl-, (6E,10E)- [ACD/Index Name]
2,6,10-Nonadecatriene, 2,6,10,14-tetramethyl-, (E,E)-
31147-35-0 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 395.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 62.0±0.8 kJ/mol
Flash Point: 191.7±17.2 °C
Index of Refraction: 1.469
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 11.05
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7447282.50
ACD/LogD (pH 7.4): 10.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7447282.50
Polar Surface Area: 0 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 388.8±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) =  11.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  363.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000136  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.435e-007
       log Kow used: 11.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.4765e-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 :   4.20E+001  atm-m3/mole
   Group Method:   1.25E+001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.042E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.09  (KowWin est)
  Log Kaw used:  3.235  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.855
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7043
   Biowin2 (Non-Linear Model)     :   0.5814
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7935  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6572  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2289
   Biowin6 (MITI Non-Linear Model):   0.0933
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0856
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8436
     BioHC Half-Life (days)     :   6.9753

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0181 Pa (0.000136 mm Hg)
  Log Koa (Koawin est  ): 7.855
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000165 
       Octanol/air (Koa) model:  1.76E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00594 
       Mackay model           :  0.0131 
       Octanol/air (Koa) model:  0.0014 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 277.0587 E-12 cm3/molecule-sec
      Half-Life =     0.039 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.796 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   129.000000 E-17 cm3/molecule-sec
      Half-Life =     0.009 Days (at 7E11 mol/cm3)
      Half-Life =     12.793 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.796E+006
      Log Koc:  6.447 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 11.09 (estimated)

 Volatilization from Water:
    Henry LC:  12.5 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.821  hours
    Half-Life from Model Lake :      169.5  hours   (7.064 days)

 Removal In Wastewater Treatment:
    Total removal:              94.05  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.19  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00672         0.173        1000       
   Water     3.75            360          1000       
   Soil      28              720          1000       
   Sediment  68.3            3.24e+003    0          
     Persistence Time: 1.24e+003 hr

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