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ChemSpider 2D Image | Ammonium ion | H4N

Ammonium ion

  • Molecular FormulaH4N
  • Average mass18.038 Da
  • Monoisotopic mass18.033827 Da
  • ChemSpider ID218
  • Charge - Charge


More details:






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

Ammonium ion
14798-03-9 [RN]
Ammonia, conjugate acid [ACD/Index Name]
Ammonium [ACD/IUPAC Name]
Ammonium [German] [ACD/IUPAC Name]
Ammonium [French] [ACD/IUPAC Name]
[NH4](+)
[NH4]+
14158-23-7 [RN]
19496-55-0 [RN]
More...

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

CHEBI:28938 [DBID]
UNII:54S68520I4 [DBID]
AIDS114551 [DBID]
AIDS-114551 [DBID]
C01342 [DBID]
CHEBI:29338 [DBID]
CHEBI:29352 [DBID]
UNII-54S68520I4 [DBID]
  • Miscellaneous
    • Safety:

      CAUTION: May be harmful if swallowed Alfa Aesar 35560
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 23267

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

Density:
Boiling Point: -33.4±9.0 °C at 760 mmHg
Vapour Pressure: 5992.5±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.3±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 3
#Freely Rotating Bonds: 0
#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: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -4.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  602.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  260.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.66E-013  (Modified Grain method)
    Subcooled liquid VP: 6.25E-011 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):  1e+006
       log Kow used: -4.37 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.02e+004 mg/L (20 deg C)
        Exper. Ref:  GREENWALD,I (1926)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  32020 mg/L
    Wat Sol (Exper. database match) =  10200.00
       Exper. Ref:  GREENWALD,I (1926)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.88E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.940E-021 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -4.37  (KowWin est)
  Log Kaw used:  -10.800  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.430
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7390
   Biowin2 (Non-Linear Model)     :   0.9401
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1593  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8217  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6492
   Biowin6 (MITI Non-Linear Model):   0.9055
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3984
 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):  8.33E-009 Pa (6.25E-011 mm Hg)
  Log Koa (Koawin est  ): 6.430
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  360 
       Octanol/air (Koa) model:  6.61E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  5.29E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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: -4.37 (estimated)

 Volatilization from Water:
    Henry LC:  3.88E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.458E+009  hours   (6.074E+007 days)
    Half-Life from Model Lake : 1.458E+009  hours   (6.074E+007 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       0.202           1e+005       1000       
   Water     39.1            360          1000       
   Soil      60.6            720          1000       
   Sediment  0.0715          3.24e+003    0          
     Persistence Time: 572 hr




                    

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