ChemSpider 2D Image | Xenon | Xe


  • Molecular FormulaXe
  • Average mass131.293 Da
  • Monoisotopic mass131.904160 Da
  • ChemSpider ID22427

More details:

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

231-172-7 [EINECS]
MFCD00036280 [MDL number]
Xe [Formula]
Xenon [ACD/Index Name] [ACD/IUPAC Name] [JAN] [Wiki]
Xenon [German] [ACD/Index Name] [ACD/IUPAC Name]
Xénon [French] [ACD/IUPAC Name]
Xenon, compressed [UN2036] [Nonflammable gas]
Xenon, refrigerated liquid (cryogenic liquids) [UN2591] [Nonflammable gas]

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

00472_FLUKA [DBID]
C13373 [DBID]
CHEBI:32305 [DBID]
D01901 [DBID]
UN2036 [DBID]
UN2591 [DBID]

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

Boiling Point: -107.1±9.0 °C at 760 mmHg
Vapour Pressure: 47528.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 15.4±3.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.28
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
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) =  1.28
    Log Kow (Exper. database match) =  1.28
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  482.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  188.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.59E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < -108 deg C
    BP  (exp database):  -108.1 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7334
       log Kow used: 1.28 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3305e+005 mg/L

 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]:  1.790E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.28  (exp database)
  Log Kaw used:  0.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.279
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6850
   Biowin2 (Non-Linear Model)     :   0.7585
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9090  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6583  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3216
   Biowin6 (MITI Non-Linear Model):   0.2202
 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):  2.45E+006 Pa (1.84E+004 mm Hg)
  Log Koa (Koawin est  ): 1.279
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.22E-012 
       Octanol/air (Koa) model:  4.67E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.42E-011 
       Mackay model           :  9.78E-011 
       Octanol/air (Koa) model:  3.73E-010 

 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): 7.1E-011 (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 = 0.286 (BCF = 1.93)
       log Kow used: 1.28 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.197  hours
    Half-Life from Model Lake :      109.1  hours   (4.547 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.44  percent
    Total to Air:               90.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.9            1e+005       1000       
   Water     42.4            360          1000       
   Soil      1.57            720          1000       
   Sediment  0.0917          3.24e+003    0          
     Persistence Time: 146 hr


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