ChemSpider 2D Image | Carbon dioxide | CO2

Carbon dioxide

  • Molecular FormulaCO2
  • Average mass44.009 Da
  • Monoisotopic mass43.989830 Da
  • ChemSpider ID274

More details:



Featured data source



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

Carbon dioxide [USAN] [Wiki]
124-38-9 [RN]
Carbon oxide, di-
carbonyl oxide
CO2 [Formula]
Dioxide, Carbon
Dioxido de carbono [Spanish]
dioxidocarbon
dioxomethane
Dioxyde de carbone [French]
More...

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

00486_FLUKA [DBID]
23402_SUPELCO [DBID]
295108_ALDRICH [DBID]
C00011 [DBID]
c0131 [DBID]
Caswell No. 163 [DBID]
CHEBI:16526 [DBID]
D00004 [DBID]
EPA Pesticide Chemical Code 016601 [DBID]
HSDB 516 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless, odorless gas. [Note: Shipped as a liquefied compressed gas. Solid form is utilized as dry ice.] NIOSH FF6400000
      colourless odourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with chemically active metals, suchas alkali metals. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Wear insulating gloves if handling solid carbon dioxide.If working with carbon dioxide in confined spaces where the concentration of gas may build up, ensure adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH FF6400000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid/solid) NIOSH FF6400000
    • Symptoms:

      Headache, dizziness, restlessness, paresthesia; dyspnea (breathing difficulty); sweating, malaise (vague feeling of discomfort); increased heart rate, cardiac output, blood pressure; coma; asphyxia; c onvulsions; frostbite (liquid, dry ice) NIOSH FF6400000
    • Target Organs:

      respiratory system, cardiovascular system NIOSH FF6400000
    • Incompatibility:

      Dusts of various metals, such as magnesium, zirconium, titanium, aluminum, chromium & manganese are ignitable and explosive when suspended in carbon dioxide. Forms carbonic acid in water. NIOSH FF6400000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: No recommendation Change: No recommendation Provide: Frostbite wash NIOSH FF6400000
    • Exposure Limits:

      NIOSH REL : TWA 5000 ppm (9000 mg/m 3 ) ST 30,000 ppm (54,000 mg/m 3 ) OSHA PEL ?: TWA 5000 ppm (9000 mg/m 3 ) NIOSH FF6400000
  • Gas Chromatography
    • Retention Index (Kovats):

      152 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 67 C; CAS no: 124389; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217., Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 86 C; CAS no: 124389; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      153 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 49 C; CAS no: 124389; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      154 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 27 C; CAS no: 124389; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: -88.5±9.0 °C at 760 mmHg
Vapour Pressure: 28293.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 16.9±3.0 kJ/mol
Flash Point: -131.1±13.9 °C
Index of Refraction: 1.247
Molar Refractivity: 7.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.61
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.61
Polar Surface Area: 34 Å2
Polarizability: 2.8±0.5 10-24cm3
Surface Tension: 3.4±3.0 dyne/cm
Molar Volume: 44.7±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) =  0.83
    Log Kow (Exper. database match) =  0.83
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -16.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -105.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.78E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -56.5 deg C
    BP  (exp database):  -78.48 deg C
    VP  (exp database):  4.83E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.572e+004
       log Kow used: 0.83 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1480 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1474.9 mg/L
    Wat Sol (Exper. database match) =  1480.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.52E-002  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.52E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.711E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.83  (exp database)
  Log Kaw used:  -0.207  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.037
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7266
   Biowin2 (Non-Linear Model)     :   0.9156
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1019  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7842  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5812
   Biowin6 (MITI Non-Linear Model):   0.7782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  6.44E+006 Pa (4.83E+004 mm Hg)
  Log Koa (Koawin est  ): 1.037
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.66E-013 
       Octanol/air (Koa) model:  2.67E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.68E-011 
       Mackay model           :  3.73E-011 
       Octanol/air (Koa) model:  2.14E-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): 2.7E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.498
      Log Koc:  0.176 

 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: 0.83 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0152 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.7025  hours   (42.15 min)
    Half-Life from Model Lake :      63.29  hours   (2.637 days)

 Removal In Wastewater Treatment:
    Total removal:              85.60  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.48  percent
    Total to Air:               85.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.6            1e+005       1000       
   Water     42.5            360          1000       
   Soil      1.79            720          1000       
   Sediment  0.0827          3.24e+003    0          
     Persistence Time: 146 hr




                    

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