ChemSpider 2D Image | Glycine-1-14C | C14CH5NO2

Glycine-1-14C

  • Molecular FormulaC14CH5NO2
  • Average mass77.059 Da
  • Monoisotopic mass77.035271 Da
  • ChemSpider ID4955716
  • Non-standard isotope - Non-standard isotope


More details:






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

(1-14C)Glycin [German] [ACD/IUPAC Name]
(1-14C)Glycine [ACD/IUPAC Name]
(1-14C)Glycine [French] [ACD/IUPAC Name]
56-39-3 [RN]
Glycine-1-14C [ACD/Index Name]
Glycine-1-14C
GLYCINE, [1-14C]
glycine, [1-14c]-
Glycine,[1-14c]
GLYCINE[1-14C]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.461
    Molar Refractivity: 16.4±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: 6.5±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 59.9±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) =  -3.41
        Log Kow (Exper. database match) =  -3.21
           Exper. Ref:  Hansch,C et al. (1995)
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  375.67  (Adapted Stein & Brown method)
        Melting Pt (deg C):  246.17  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  8.19E-008  (Modified Grain method)
        MP  (exp database):  262 dec deg C
        Subcooled liquid VP: 3.22E-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):  6.256e+005
           log Kow used: -3.21 (expkow database)
           no-melting pt equation used
         Water Sol (Exper. database match) =  2.49e+005 mg/L (25 deg C)
            Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  7.6956e+005 mg/L
        Wat Sol (Exper. database match) =  249000.00
           Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines-acid
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.12E-009  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.293E-014 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -3.21  (exp database)
      Log Kaw used:  -7.339  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  4.129
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.9383
       Biowin2 (Non-Linear Model)     :   0.9758
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.4223  (days-weeks  )
       Biowin4 (Primary Survey Model) :   4.1683  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.7527
       Biowin6 (MITI Non-Linear Model):   0.8373
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  1.2261
     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):  0.00429 Pa (3.22E-005 mm Hg)
      Log Koa (Koawin est  ): 4.129
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.000699 
           Octanol/air (Koa) model:  3.3E-009 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.0246 
           Mackay model           :  0.0529 
           Octanol/air (Koa) model:  2.64E-007 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  28.0347 E-12 cm3/molecule-sec
          Half-Life =     0.382 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     4.578 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.0388 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1
          Log Koc:  0.000 
    
     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: -3.21 (expkow database)
    
     Volatilization from Water:
        Henry LC:  1.12E-009 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 4.529E+005  hours   (1.887E+004 days)
        Half-Life from Model Lake : 4.941E+006  hours   (2.059E+005 days)
    
     Removal In Wastewater Treatment:
        Total removal:               1.85  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.75  percent
        Total to Air:                0.00  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       0.0412          9.16         1000       
       Water     34.7            208          1000       
       Soil      65.2            416          1000       
       Sediment  0.06            1.87e+003    0          
         Persistence Time: 381 hr
    
    
    
    
                        

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