ChemSpider 2D Image | 1,5-Dicyclopentyl-3-(2-cyclopentyl-ethyl)-2-pentene | C22H38

1,5-Dicyclopentyl-3-(2-cyclopentyl-ethyl)-2-pentene

  • Molecular FormulaC22H38
  • Average mass302.537 Da
  • Monoisotopic mass302.297363 Da
  • ChemSpider ID37631

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

[5-Cyclopentyl-3-(2-cyclopentylethyl)-2-penten-1-yl]cyclopentan [German] [ACD/IUPAC Name]
[5-Cyclopentyl-3-(2-cyclopentylethyl)-2-penten-1-yl]cyclopentane [ACD/IUPAC Name]
[5-Cyclopentyl-3-(2-cyclopentyléthyl)-2-pentén-1-yl]cyclopentane [French] [ACD/IUPAC Name]
1,1'-(3-(2-Cyclopentylethylidene)-1,5-Pentanediyl)Bis(Cyclopentane)
1,5-Dicyclopentyl-3-(2-cyclopentyl-ethyl)-2-pentene
Cyclopentane, [5-cyclopentyl-3-(2-cyclopentylethyl)-2-penten-1-yl]- [ACD/Index Name]
Cyclopentane, 1,1'-[3-(2-cyclopentylethylidene)-1,5-pentanediyl]bis-
[5-Cyclopentyl-3-(2-cyclopentylethyl)-3-pentenyl]cyclopentane
1, 5-Dicyclopentyl-3-(2-cyclopentyl-ethyl)-2-pentene
1,1'-(3-(2-CYCLOPENTYLETHYLIDENE)-1,5-PENTANE*)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC175283 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 404.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 63.0±0.8 kJ/mol
Flash Point: 142.9±16.2 °C
Index of Refraction: 1.500
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.06
ACD/LogD (pH 5.5): 8.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1601422.50
ACD/LogD (pH 7.4): 8.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1601422.50
Polar Surface Area: 0 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 331.7±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) =  10.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  370.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.22E-005  (Modified Grain method)
    Subcooled liquid VP: 9.49E-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):  4.274e-006
       log Kow used: 10.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.0852e-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 :   2.52E+000  atm-m3/mole
   Group Method:   3.70E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.068E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.43  (KowWin est)
  Log Kaw used:  2.013  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.417
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6035
   Biowin2 (Non-Linear Model)     :   0.2163
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5306  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4112  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3394
   Biowin6 (MITI Non-Linear Model):   0.1704
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4293
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.9620
     BioHC Half-Life (days)     :  91.6247

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0127 Pa (9.49E-005 mm Hg)
  Log Koa (Koawin est  ): 8.417
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000237 
       Octanol/air (Koa) model:  6.41E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00849 
       Mackay model           :  0.0186 
       Octanol/air (Koa) model:  0.0051 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 110.9561 E-12 cm3/molecule-sec
      Half-Life =     0.096 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.157 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.0136 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.622E+006
      Log Koc:  6.419 

 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: 10.43 (estimated)

 Volatilization from Water:
    Henry LC:  0.37 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.778  hours
    Half-Life from Model Lake :      165.2  hours   (6.885 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00773         0.501        1000       
   Water     1.9             900          1000       
   Soil      28              1.8e+003     1000       
   Sediment  70.1            8.1e+003     0          
     Persistence Time: 3.1e+003 hr

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