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ChemSpider 2D Image | Chromium trioxide | CrO3

Chromium trioxide

  • Molecular FormulaCrO3
  • Average mass99.994 Da
  • Monoisotopic mass99.925255 Da
  • ChemSpider ID14212

More details:






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

1333-82-0 [RN]
215-607-8 [EINECS]
anhydride chromique [French]
Anidride cromica [Italian]
Chrom(VI)-oxid [German]
Chrome (trioxyde de) [French]
Chromia (CrO3)
CHROMIC ANHYDRIDE
chromium (VI) oxide
Chromium oxide
More...

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

. [DBID]
07404_RIEDEL [DBID]
232653_ALDRICH [DBID]
236470_SIAL [DBID]
27081_FLUKA [DBID]
359823_ALDRICH [DBID]
523577_ALDRICH [DBID]
675644_ALDRICH [DBID]
CCRIS 160 [DBID]
HSDB 518 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      CrO3: Dark-red, odorless flakes or powder. [Note: Often used in an aqueous solution (H2CrO4).] NIOSH GB6650000 (CrO3)
      dark red crystals or powder OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Strong oxidizer. Reacts with most organic material in aviolent and often explosive fashion. Moisture sensitive. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Inorganic Compound; Chromium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D0065
      ORL-RAT LD50 80 mg kg-1, IPR-MUS LD50 29 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      DANGER: Cancer risk, burns skin, eyes, nose, throat & lungs Alfa Aesar 10691, 12522, 36468
      Safety glasses, gloves, good ventilation is essential.Treat as a carcinogen. OU Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH GB6650000 (CrO3)
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH GB6650000 (CrO3)
    • Symptoms:

      Irritation respiratory system; nasal septum perforation; liver, kidney damage; leukocytosis (increased blood leukocytes), leukopenia (reduced blood leukocytes), eosinophilia; eye injury, conjunctiviti s; skin ulcer, sensitization dermatitis; [potential occupational carcinogen] NIOSH GB6650000 (CrO3)
    • Target Organs:

      Blood, respiratory system, liver, kidneys, eyes, skin Cancer Site [lung cancer] NIOSH GB6650000 (CrO3)
    • Incompatibility:

      Combustible, organic, or other readily oxidizable materials (paper, wood, sulfur, aluminum, plastics, etc.); corrosive to metals NIOSH GB6650000 (CrO3)
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash, Quick drench NIOSH GB6650000 (CrO3)
    • Exposure Limits:

      NIOSH REL (as Cr): Ca TWA 0.001 mg/m 3 See Appendix A See Appendix C OSHA PEL (as CrO 3 ): TWA 0.005 mg/m 3 SeeAppendix C NIOSH GB6650000 (CrO3)
    • Chemical Class:

      A chromium oxide composed of a single chromium bound (oxidation state +6) to three oxygens; the acidic anhydride of chromic acid. ChEBI CHEBI:48240

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: 3
#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: 51 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) =  2.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  564.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  242.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.01E-011  (Modified Grain method)
    Subcooled liquid VP: 2.3E-009 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):  1460
       log Kow used: 2.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.775e+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 :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.101E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6999
   Biowin2 (Non-Linear Model)     :   0.8304
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9782  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7035  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4147
   Biowin6 (MITI Non-Linear Model):   0.4107
 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):  3.07E-007 Pa (2.3E-009 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.78 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  not available

 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): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 1.016 (BCF = 10.38)
       log Kow used: 2.23 (estimated)

 Volatilization from Water:
    Henry LC:  9.1E-016 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 6.433E+011  hours   (2.68E+010 days)
    Half-Life from Model Lake : 7.017E+012  hours   (2.924E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               2.52  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.42  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       1.06e-005       1e+005       1000       
   Water     20.5            360          1000       
   Soil      79.4            720          1000       
   Sediment  0.096           3.24e+003    0          
     Persistence Time: 733 hr




                    

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