ChemSpider 2D Image | Decylcyclopentane | C15H30

Decylcyclopentane

  • Molecular FormulaC15H30
  • Average mass210.399 Da
  • Monoisotopic mass210.234756 Da
  • ChemSpider ID120911

More details:






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

1795-21-7 [RN]
1-Cyclopentyldecane
Cyclopentane, decyl- [ACD/Index Name]
Decane, 1-cyclopentyl-
Decylcyclopentan [German] [ACD/IUPAC Name]
Decylcyclopentane [ACD/IUPAC Name]
Décylcyclopentane [French] [ACD/IUPAC Name]
n-Decylcyclopentane
295-48-7 [RN]
cyclopentane, n-decyl-

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

NCIOpen2_004057 [DBID]
NSC74189 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography
    • Retention Index (Kovats):

      1555 (estimated with error: 39) NIST Spectra mainlib_118900, replib_9652
      1536.3 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 55 m; Column type: Capillary; Start T: 100 C; CAS no: 1795217; Active phase: OV-1; Carrier gas: N2; Phase thickness: 0.35 um; Data type: Kovats RI; Authors: Anders, G.; Anders, K.; Engewald, W., Identification of non-branched alkenylcycloalkanes with a terminal double bond from retention index increments, Chromatographia, 20(2), 1985, 83-86.) NIST Spectra nist ri
      1550 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 130 C; CAS no: 1795217; Active phase: Methyl Silicone; Data type: Kovats RI; Authors: Antheaume, J.; Guiochon, G., Application de la chromatographie en phase gazeuse a l'etude de la composition des fractions moyennes d'un brut petrolier, Bull. Soc. Chim. Fr., 2, 1965, 298-307.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 279.5±3.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.7±0.8 kJ/mol
Flash Point: 115.4±10.6 °C
Index of Refraction: 1.450
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 463353.69
ACD/KOC (pH 5.5): 395578.19
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 463353.69
ACD/KOC (pH 7.4): 395578.19
Polar Surface Area: 0 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 258.3±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) =  7.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  266.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00982  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -22 deg C
    BP  (exp database):  279 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.004232
       log Kow used: 7.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0011606 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.27E+000  atm-m3/mole
   Group Method:   5.23E+000  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.424E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.52  (KowWin est)
  Log Kaw used:  2.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.394
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7558
   Biowin2 (Non-Linear Model)     :   0.8658
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0325  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8132  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6227
   Biowin6 (MITI Non-Linear Model):   0.7601
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2321
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.3728
     BioHC Half-Life (days)     :  23.5931

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.37 Pa (0.0103 mm Hg)
  Log Koa (Koawin est  ): 5.394
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.18E-006 
       Octanol/air (Koa) model:  6.08E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.89E-005 
       Mackay model           :  0.000175 
       Octanol/air (Koa) model:  4.87E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.5483 E-12 cm3/molecule-sec
      Half-Life =     0.577 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.920 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000127 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.759E+004
      Log Koc:  4.575 

 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 = 2.595 (BCF = 393.4)
       log Kow used: 7.52 (estimated)

 Volatilization from Water:
    Henry LC:  3.27 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.48  hours
    Half-Life from Model Lake :      137.8  hours   (5.741 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.87  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    71.63  percent
    Total to Air:               25.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.487           13.8         1000       
   Water     3.9             360          1000       
   Soil      27.6            720          1000       
   Sediment  68              3.24e+003    0          
     Persistence Time: 1.2e+003 hr




                    

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