ChemSpider 2D Image | 1-(1-~14~C)Propanamine | C214CH9N

1-(1-14C)Propanamine

  • Molecular FormulaC214CH9N
  • Average mass61.103 Da
  • Monoisotopic mass61.076740 Da
  • ChemSpider ID17339902

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(1-14C)Propanamin [German] [ACD/IUPAC Name]
1-(1-14C)Propanamine [ACD/IUPAC Name]
1-(1-14C)Propanamine [French] [ACD/IUPAC Name]
1-Propanamine-1-14C [ACD/Index Name]

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

Density: 0.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.392
Molar Refractivity: 19.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 7.7±0.5 10-24cm3
Surface Tension: 23.8±3.0 dyne/cm
Molar Volume: 81.7±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) =  0.34
    Log Kow (Exper. database match) =  0.48
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  62.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  327  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -83 deg C
    BP  (exp database):  47.2 deg C
    VP  (exp database):  3.10E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.438e+005
       log Kow used: 0.48 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9011e+005 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.34E-005  atm-m3/mole
   Group Method:   1.23E-005  atm-m3/mole
   Exper Database: 1.48E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.677E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.48  (exp database)
  Log Kaw used:  -3.218  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.698
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8732
   Biowin2 (Non-Linear Model)     :   0.9637
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0930  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8057  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6688
   Biowin6 (MITI Non-Linear Model):   0.8042
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9858
 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):  4.13E+004 Pa (310 mm Hg)
  Log Koa (Koawin est  ): 3.698
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.26E-011 
       Octanol/air (Koa) model:  1.22E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.62E-009 
       Mackay model           :  5.81E-009 
       Octanol/air (Koa) model:  9.8E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.0001 E-12 cm3/molecule-sec
      Half-Life =     0.324 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.889 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.21E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  32.9
      Log Koc:  1.517 

 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: 0.48 (expkow database)

 Volatilization from Water:
    Henry LC:  1.48E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       31.2  hours   (1.3 days)
    Half-Life from Model Lake :      404.8  hours   (16.87 days)

 Removal In Wastewater Treatment:
    Total removal:               2.67  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.29            7.78         1000       
   Water     47.2            360          1000       
   Soil      51.4            720          1000       
   Sediment  0.0888          3.24e+003    0          
     Persistence Time: 317 hr

Click to predict properties on the Chemicalize site


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