ChemSpider 2D Image | Cyclopentylamine | C5H11N

Cyclopentylamine

  • Molecular FormulaC5H11N
  • Average mass85.147 Da
  • Monoisotopic mass85.089149 Da
  • ChemSpider ID2803

More details:

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

Cyclopentylamine
1003-03-8 [RN]
213-697-3 [EINECS]
4-12-00-00004 [Beilstein]
Aminocyclopentane
Cyclopentanamin [German] [ACD/IUPAC Name]
cyclopentanamine [ACD/Index Name] [ACD/IUPAC Name]
Cyclopentanamine [French] [ACD/Index Name] [ACD/IUPAC Name]
Amino cyclopentane
cyclopentylammonium
More...

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

4259VRY3GN [DBID]
GY8452000 [DBID]
MFCD00001380 [DBID]
UNII-4259VRY3GN [DBID]
1CB [DBID]
BR-44373 [DBID]
BRN 0635706 [DBID]
C115002_ALDRICH [DBID]
CB 1689 [DBID]
Jsp000086 [DBID]
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 110.0±8.0 °C at 760 mmHg
Vapour Pressure: 24.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.9±3.0 kJ/mol
Flash Point: 17.2±0.0 °C
Index of Refraction: 1.465
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 96.3±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) =  1.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  119.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  26.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -82.7 deg C
    BP  (exp database):  108 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.383e+005
       log Kow used: 1.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.964e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.04E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.147E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.14  (KowWin est)
  Log Kaw used:  -3.371  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.511
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8608
   Biowin2 (Non-Linear Model)     :   0.9483
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0354  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7682  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5835
   Biowin6 (MITI Non-Linear Model):   0.6456
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5728
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.33E+003 Pa (25 mm Hg)
  Log Koa (Koawin est  ): 4.511
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9E-010 
       Octanol/air (Koa) model:  7.96E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.25E-008 
       Mackay model           :  7.2E-008 
       Octanol/air (Koa) model:  6.37E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.0867 E-12 cm3/molecule-sec
      Half-Life =     0.254 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.050 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.23E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  21.89
      Log Koc:  1.340 

 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 = 0.178 (BCF = 1.506)
       log Kow used: 1.14 (estimated)

 Volatilization from Water:
    Henry LC:  1.04E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      52.89  hours   (2.204 days)
    Half-Life from Model Lake :      654.4  hours   (27.26 days)

 Removal In Wastewater Treatment:
    Total removal:               2.47  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.915           6.1          1000       
   Water     43              360          1000       
   Soil      56              720          1000       
   Sediment  0.0889          3.24e+003    0          
     Persistence Time: 342 hr

Click to predict properties on the Chemicalize site


Advertisement