ChemSpider 2D Image | Sulfuryl chloride | Cl2O2S

Sulfuryl chloride

  • Molecular FormulaCl2O2S
  • Average mass134.970 Da
  • Monoisotopic mass133.899612 Da
  • ChemSpider ID23050

More details:

Featured data source

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

Sulfuryl chloride [Wiki]
Dichlorure de sulfuryle [French] [ACD/IUPAC Name]
Dichlorure sulfuryl [French]
sulfonyl chloride
Sulfuryl dichloride [ACD/Index Name] [ACD/IUPAC Name]
Sulfuryldichlorid [German] [ACD/IUPAC Name]
232-245-6 [EINECS]
7791-25-5 [RN]
Chlorosulfuric acid
Chlorosulfuric acid;Sulfony chloride;Sulfuryl chloride

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

Caswell No. 816 [DBID]
CHEBI:29291 [DBID]
EPA Pesticide Chemical Code 078002 [DBID]
UN1834 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 69.1±9.0 °C at 760 mmHg
Vapour Pressure: 147.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.4±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.479
Molar Refractivity: 20.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.24
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: 43 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 72.3±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) =  1.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  554.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  233.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  135  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -54.1 deg C
    BP  (exp database):  69.3 deg C
    VP  (exp database):  1.40E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.146e+004
       log Kow used: 1.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.08E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.092E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.04  (KowWin est)
  Log Kaw used:  -1.900  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.940
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6833
   Biowin2 (Non-Linear Model)     :   0.7488
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9009  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6530  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3106
   Biowin6 (MITI Non-Linear Model):   0.2025
 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):  1.87E+004 Pa (140 mm Hg)
  Log Koa (Koawin est  ): 2.940
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.61E-010 
       Octanol/air (Koa) model:  2.14E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.8E-009 
       Mackay model           :  1.29E-008 
       Octanol/air (Koa) model:  1.71E-008 

 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): 9.33E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.124
      Log Koc:  0.787 

 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 = 0.098 (BCF = 1.252)
       log Kow used: 1.04 (estimated)

 Volatilization from Water:
    Henry LC:  0.000308 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.394  hours
    Half-Life from Model Lake :      134.4  hours   (5.601 days)

 Removal In Wastewater Treatment:
    Total removal:              14.17  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.61  percent
    Total to Air:               12.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       29.3            1e+005       1000       
   Water     39.7            360          1000       
   Soil      30.9            720          1000       
   Sediment  0.0802          3.24e+003    0          
     Persistence Time: 228 hr


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