ChemSpider 2D Image | SULFUR DIOXIDE | O2S

SULFUR DIOXIDE

  • Molecular FormulaO2S
  • Average mass64.064 Da
  • Monoisotopic mass63.961899 Da
  • ChemSpider ID1087

More details:



Featured data source



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

231-195-2 [EINECS]
Dioxide, Sulfur
Oxosulfane oxide [ACD/IUPAC Name]
Oxosulfanoxid [German] [ACD/IUPAC Name]
Oxyde de oxosulfane [French] [ACD/IUPAC Name]
Schwefeldioxyd [German]
Siarki dwutlenek [Polish]
Sulfane, oxo-, oxide [ACD/Index Name]
SULFUR DIOXIDE [Wiki]
Sulfur dioxide [UN1079] [Poison gas]
More...

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

295698_ALDRICH [DBID]
84693_FLUKA [DBID]
C09306 [DBID]
Caswell No. 813 [DBID]
CHEBI:18422 [DBID]
EPA Pesticide Chemical Code 077601 [DBID]
FEMA No. 3039 [DBID]
HSDB 228 [DBID]
UN 1079 [DBID]
UN1079 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a characteristic, irritating, pungent odor. [Note: A liquid below 14F. Shipped as a liquefied compressed gas.] NIOSH WS4550000
      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Non-corrosive when dry to common materials except zinc;corrosive when wet. Incompatible with strong reducing or oxidizing agents,moisture, zinc and its alloys. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Safety glasses or face shield; rubber gloves. Suitable ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH WS4550000
    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH WS4550000
    • Symptoms:

      Irritation eyes, nose, throat; rhinorrhea (discharge of thin mucus); choking, cough; reflex bronchoconstriction; liquid: frostbite NIOSH WS4550000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH WS4550000
    • Incompatibility:

      Powdered alkali metals (such as sodium & potassium), water, ammonia, zinc, aluminum, brass, copper [Note: Reacts with water to form sulfurous acid (H2SO3).] NIOSH WS4550000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: When wet or contaminated (liquid) Change: No recommendation Provide: Frostbite wash NIOSH WS4550000
    • Exposure Limits:

      NIOSH REL : TWA 2 ppm (5 mg/m 3 ) ST 5 ppm (13 mg/m 3 ) OSHA PEL ?: TWA 5 ppm (13 mg/m 3 ) NIOSH WS4550000
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      882 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 210 C; CAS no: 7446095; Active phase: DB-Wax; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Chyau, C.-C.; Mau, J.-L., Release of volatile compounds from microwave heating of garlic juice with 2,4-decadienals, Food Chem., 64, 1999, 531-535.) NIST Spectra nist ri
    • Retention Index (Linear):

      856 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 220 C; End time: 30 min; Start time: 5 min; CAS no: 7446095; Active phase: CP-Wax 52CB; Data type: Linear RI; Authors: Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 54, 2006, 7242-7250.) NIST Spectra nist ri

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

Density: 1.6±0.1 g/cm3
Boiling Point: -10.0±9.0 °C at 760 mmHg
Vapour Pressure: 2533.5±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.9±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.510
Molar Refractivity: 12.1±0.5 cm3
#H bond acceptors: 2
#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: 34 Å2
Polarizability: 4.8±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 40.3±7.0 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) =  -2.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  522.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  212.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.6E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -72 deg C
    BP  (exp database):  -10 deg C
    VP  (exp database):  3.00E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -2.20 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.07e+005 mg/L (21 deg C)
        Exper. Ref:  VENABLE,CS & FUWA,T (1922)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  107000.00
       Exper. Ref:  VENABLE,CS & FUWA,T (1922)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.74E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.406E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.20  (KowWin est)
  Log Kaw used:  -8.400  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.200
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7170
   Biowin2 (Non-Linear Model)     :   0.8908
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0576  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7553  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5216
   Biowin6 (MITI Non-Linear Model):   0.6629
 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):  4E+005 Pa (3E+003 mm Hg)
  Log Koa (Koawin est  ): 6.200
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-012 
       Octanol/air (Koa) model:  3.89E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-010 
       Mackay model           :  6E-010 
       Octanol/air (Koa) model:  3.11E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.0000 E-12 cm3/molecule-sec
      Half-Life =     0.178 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.139 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.35E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.989
      Log Koc:  0.476 

 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: -2.20 (estimated)

 Volatilization from Water:
    Henry LC:  9.74E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.811E+006  hours   (2.005E+005 days)
    Half-Life from Model Lake : 5.249E+007  hours   (2.187E+006 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       0.00229         4.28         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0714          3.24e+003    0          
     Persistence Time: 577 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form