ChemSpider 2D Image | 1-Tetracosene | C24H48

1-Tetracosene

  • Molecular FormulaC24H48
  • Average mass336.638 Da
  • Monoisotopic mass336.375610 Da
  • ChemSpider ID74395

More details:






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

10192-32-2 [RN]
1-Tetracosen [German] [ACD/IUPAC Name]
1-Tetracosene [ACD/Index Name] [ACD/IUPAC Name]
1-Tétracosène [French] [ACD/IUPAC Name]
233-470-2 [EINECS]
Tetracos-1-ene
36731-16-5 [RN]
EINECS 233-470-2
EINECS 300-203-7
Tetracosene

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

V4Z12FF061 [DBID]
UNII:V4Z12FF061 [DBID]
UNII-V4Z12FF061 [DBID]
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      2395 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 300 C; End time: 5 min; CAS no: 10192322; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M., Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc., J. Oleo Sci., 54(11), 2005, 609-612.) NIST Spectra nist ri
      2392.1 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 285 C; CAS no: 10192322; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Guedes, A.P.; Amorim, L.R.; Vicente, A.M.S.; Ramos, G.; Fernandes-Ferreira, M., Essential oils from plants and in vitro shoots of Hypericum androsaemum L., J. Agric. Food Chem., 51, 2003, 1399-1404.) NIST Spectra nist ri
      2394 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 280 C; CAS no: 10192322; Active phase: SE-54; Data type: Normal alkane RI; Authors: Scribe, P.; Ngoumbi-Nzouzi, J.-S.; Fuche, C.; Pepe, C.; Saliot, A., Biogeochemistry of organic matter in Lake Geneva: I. Particulate hydrocarbons as biogenic and anthropogenic molecular markers, Hydrobiologia, 207, 1990, 319-331.) NIST Spectra nist ri
      2391 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 300 C; CAS no: 10192322; Active phase: CP Sil 8 CB; Carrier gas: H2; Phase thickness: 0.13 um; Data type: Normal alkane RI; Authors: Yruela, I.; Barbe, A.; Grimalt, J.O., Determination of Double Bond Position and Geometry in Linear and High Branched Hydrocarbons and Fatty Acids from Gas Chromatography-Mass Spectrometry of Epoxides and Diols Generated by Stereospecific Resin Hydration, J. Chromatogr. Sci., 28, 1990, 421-427.) NIST Spectra nist ri
    • Retention Index (Linear):

      2396 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 30C=>5K/min=120C=>10C/min=>270C; CAS no: 10192322; Active phase: DB-5; Carrier gas: He; Data type: Linear RI; Authors: Zaikin, V.G.; Borisov, R.S., Chromatographic-mass spectrometric analysis of Fishcer-Tropsch synthesis products, J. Anal. Chem. USSR (Engl. Transl.), 57(6), 2002, 544-551, In original 653-660.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 386.1±5.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±0.8 kJ/mol
Flash Point: 217.1±9.5 °C
Index of Refraction: 1.451
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 13.00
ACD/LogD (pH 5.5): 11.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 419.8±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) =  11.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  379.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  96.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.15E-005  (Modified Grain method)
    Subcooled liquid VP: 5.72E-005 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):  1.244e-007
       log Kow used: 11.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.3665e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.88E+001  atm-m3/mole
   Group Method:   2.68E+002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.095E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.99  (KowWin est)
  Log Kaw used:  3.381  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.609
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6957
   Biowin2 (Non-Linear Model)     :   0.5180
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7536  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6311  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7673
   Biowin6 (MITI Non-Linear Model):   0.8734
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7640
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7674
     BioHC Half-Life (days)     :  58.5315

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00763 Pa (5.72E-005 mm Hg)
  Log Koa (Koawin est  ): 8.609
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000393 
       Octanol/air (Koa) model:  9.98E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.014 
       Mackay model           :  0.0305 
       Octanol/air (Koa) model:  0.00792 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  55.6128 E-12 cm3/molecule-sec
      Half-Life =     0.192 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.308 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0223 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.086E+006
      Log Koc:  6.958 

 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: 11.99 (estimated)

 Volatilization from Water:
    Henry LC:  58.8 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.872  hours
    Half-Life from Model Lake :      174.3  hours   (7.261 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.22  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.141           3.84         1000       
   Water     3.74            360          1000       
   Soil      28              720          1000       
   Sediment  68.1            3.24e+003    0          
     Persistence Time: 1.24e+003 hr




                    

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