ChemSpider 2D Image | 1-Cyclopentylpiperidine | C10H19N

1-Cyclopentylpiperidine

  • Molecular FormulaC10H19N
  • Average mass153.265 Da
  • Monoisotopic mass153.151749 Da
  • ChemSpider ID122591

More details:

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

1-Cyclopentylpiperidin [German] [ACD/IUPAC Name]
1-Cyclopentylpiperidine [ACD/IUPAC Name]
1-Cyclopentylpipéridine [French] [ACD/IUPAC Name]
7335-04-8 [RN]
Piperidine, 1-cyclopentyl- [ACD/Index Name]
[7335-04-8] [RN]
cyclopentylpiperidine
N-Cyclopentylpiperidine
Piperidine,1-cyclopentyl-

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

08.04.7335 [DBID]
MFCD12026813 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 210.8±8.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.7±3.0 kJ/mol
    Flash Point: 82.7±4.8 °C
    Index of Refraction: 1.509
    Molar Refractivity: 47.7±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.24
    Polar Surface Area: 3 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 37.6±3.0 dyne/cm
    Molar Volume: 159.9±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) =  3.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  210.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.21  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1444
       log Kow used: 3.18 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7815.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.16E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.933E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.18  (KowWin est)
  Log Kaw used:  -2.676  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.856
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4693
   Biowin2 (Non-Linear Model)     :   0.1993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6057  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3386  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3613
   Biowin6 (MITI Non-Linear Model):   0.3231
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2794
 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):  25.9 Pa (0.194 mm Hg)
  Log Koa (Koawin est  ): 5.856
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.16E-007 
       Octanol/air (Koa) model:  1.76E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.19E-006 
       Mackay model           :  9.28E-006 
       Octanol/air (Koa) model:  1.41E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 112.6939 E-12 cm3/molecule-sec
      Half-Life =     0.095 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.139 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.73E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  288.2
      Log Koc:  2.460 

 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 = 1.747 (BCF = 55.85)
       log Kow used: 3.18 (estimated)

 Volatilization from Water:
    Henry LC:  5.16E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      15.31  hours
    Half-Life from Model Lake :      270.8  hours   (11.28 days)

 Removal In Wastewater Treatment:
    Total removal:               9.96  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.30  percent
    Total to Air:                2.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.137           2.28         1000       
   Water     16.4            900          1000       
   Soil      82.9            1.8e+003     1000       
   Sediment  0.56            8.1e+003     0          
     Persistence Time: 960 hr

    Click to predict properties on the Chemicalize site


    Advertisement