ChemSpider 2D Image | Mercury | Hg

Mercury

  • Molecular FormulaHg
  • Average mass200.590 Da
  • Monoisotopic mass201.970596 Da
  • ChemSpider ID22373

More details:






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

Mercury [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
azogue [Spanish]
Hg [Formula]
Hg(0) [Formula]
hydrargyrum [Latin] [Wiki]
Mercure [French] [ACD/IUPAC Name]
mercurio [Spanish]
Mercury [UN2809] [Corrosive]
Quecksilber [German] [ACD/IUPAC Name]
quicksilver [Wiki]
More...

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

02587_FLUKA [DBID]
207292_ALDRICH [DBID]
215457_SIAL [DBID]
261017_ALDRICH [DBID]
294594_ALDRICH [DBID]
34289_RIEDEL [DBID]
34291_RIEDEL [DBID]
34292_RIEDEL [DBID]
83359_FLUKA [DBID]
C01319 [DBID]
More...

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#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) =  0.62
    Log Kow (Exper. database match) =  0.62
       Exper. Ref:  Daylight (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  502.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  202.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.2E-005  (Modified Grain method)
    MP  (exp database):  -38.8 deg C
    BP  (exp database):  356.6 deg C
    VP  (exp database):  1.96E-03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.284e+004
       log Kow used: 0.62 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.06 mg/L (25 deg C)
        Exper. Ref:  ROSENBLATT,DH ET AL. (1975)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  63978 mg/L
    Wat Sol (Exper. database match) =  0.06
       Exper. Ref:  ROSENBLATT,DH ET AL. (1975)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.891E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.62  (exp database)
  Log Kaw used:  0.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.619
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6521
   Biowin2 (Non-Linear Model)     :   0.5400
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7559  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5583  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1154
   Biowin6 (MITI Non-Linear Model):   0.0368
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  0.261 Pa (0.00196 mm Hg)
  Log Koa (Koawin est  ): 0.619
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.15E-005 
       Octanol/air (Koa) model:  1.02E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000414 
       Mackay model           :  0.000918 
       Octanol/air (Koa) model:  8.17E-011 

 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): 0.000666 (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: 0.62 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.479  hours
    Half-Life from Model Lake :      134.9  hours   (5.621 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.40  percent
    Total to Air:               90.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.1            1e+005       1000       
   Water     42.6            360          1000       
   Soil      1.24            720          1000       
   Sediment  0.081           3.24e+003    0          
     Persistence Time: 146 hr




                    

Click to predict properties on the Chemicalize site


Feedback Form