ChemSpider 2D Image | 1-(1-Cyclopenten-1-yl)piperidine | C10H17N

1-(1-Cyclopenten-1-yl)piperidine

  • Molecular FormulaC10H17N
  • Average mass151.249 Da
  • Monoisotopic mass151.136093 Da
  • ChemSpider ID120820

More details:

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

1-(1-Cyclopenten-1-yl)piperidin [German] [ACD/IUPAC Name]
1-(1-Cyclopenten-1-yl)piperidine [ACD/IUPAC Name]
1-(1-Cyclopentén-1-yl)pipéridine [French] [ACD/IUPAC Name]
1-(Cyclopent-1-en-1-yl)piperidine
Piperidine, 1-(1-cyclopenten-1-yl)- [ACD/Index Name]
1-(1-CYCLOPENTENYL)PIPERIDINE
1-(cyclopenten-1-yl)piperidine
1614-92-2 [RN]
1-Cyclopent-1-enyl-piperidine
1-piperidinocyclopentene
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 241.9±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.9±3.0 kJ/mol
    Flash Point: 91.4±15.9 °C
    Index of Refraction: 1.539
    Molar Refractivity: 47.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.20
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 1.77
    ACD/KOC (pH 7.4): 21.42
    Polar Surface Area: 3 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 151.2±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) =  3.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  217.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.134  (Modified Grain method)
    Subcooled liquid VP: 0.14 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):  1743
       log Kow used: 3.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10408 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.49E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.530E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (KowWin est)
  Log Kaw used:  -2.411  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.501
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4703
   Biowin2 (Non-Linear Model)     :   0.2039
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6101  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3415  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3413
   Biowin6 (MITI Non-Linear Model):   0.3187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2724
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  18.7 Pa (0.14 mm Hg)
  Log Koa (Koawin est  ): 5.501
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.61E-007 
       Octanol/air (Koa) model:  7.78E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.8E-006 
       Mackay model           :  1.29E-005 
       Octanol/air (Koa) model:  6.22E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 146.1220 E-12 cm3/molecule-sec
      Half-Life =     0.073 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.878 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi): 9.33E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1437
      Log Koc:  3.157 

 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 = 1.681 (BCF = 48.02)
       log Kow used: 3.09 (estimated)

 Volatilization from Water:
    Henry LC:  9.49E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      8.842  hours
    Half-Life from Model Lake :      199.6  hours   (8.316 days)

 Removal In Wastewater Treatment:
    Total removal:              10.79  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.24  percent
    Total to Air:                4.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0859          1.19         1000       
   Water     15.6            900          1000       
   Soil      83.8            1.8e+003     1000       
   Sediment  0.436           8.1e+003     0          
     Persistence Time: 903 hr

    Click to predict properties on the Chemicalize site


    Advertisement