ChemSpider 2D Image | Diiodomethane | CH2I2

Diiodomethane

  • Molecular FormulaCH2I2
  • Average mass267.836 Da
  • Monoisotopic mass267.824585 Da
  • ChemSpider ID6106

More details:






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

75-11-6 [RN]
Diiodmethan [German] [ACD/IUPAC Name]
Diiodomethane [ACD/IUPAC Name]
Diiodométhane [French] [ACD/IUPAC Name]
Dijodmethan [Czech]
methane, di-iodo-
Methane, diiodo- [ACD/Index Name]
METHYLENE IODIDE
103883-81-4 [RN]
200-841-5 [EINECS]
More...

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

158429_SIAL [DBID]
NSC 35804 [DBID]
NSC35804 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      light yellow or gold liquid with chloroform-like odour Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents,strong bases. Reacts violently with alkali metal salts.May discolour on exposure to light. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      SCU-MUS LD50 830 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      20/22-36/37/38 Alfa Aesar A15457
      26-36/37 Alfa Aesar A15457
      6.1 Alfa Aesar A15457
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar A15457
      H302-H332-H315-H319-H335 Alfa Aesar A15457
      Harmful/Irritant/Light Sensitive/Harmful to aquatic life SynQuest 1100-H-02, 19838
      IRRITANT Matrix Scientific 100689
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A15457
      R20/21/22,R36/37/38,R52 SynQuest 1100-H-02, 19838
      S13,S23,S24/25,S26,S33,S36/37/39,S45,S61 SynQuest 1100-H-02, 19838
      Safety glasses and adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar A15457
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A15457
  • Gas Chromatography
    • Retention Index (Kovats):

      895 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 75 C; CAS no: 75116; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri
      903 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 75116; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri
      911 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 125 C; CAS no: 75116; Active phase: OV-1; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri
      1510.47 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 100 C; CAS no: 75116; Active phase: SP-1000; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri
      1522.18 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 125 C; CAS no: 75116; Active phase: SP-1000; Carrier gas: He; Substrate: Chromosorb W DMCS; Data type: Kovats RI; Authors: Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 437, 1988, 33-45.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      878 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 60 m; Column type: Capillary; CAS no: 75116; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Helmig, D.; Greenberg, J., Artifact formation from the use of potassium-iodide-based ozone traps during atmospheric sampling of trace organic gases, J. Hi. Res. Chromatogr., 18, 1995, 15-18.) NIST Spectra nist ri
      904.6 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 20 C; End T: 200 C; Start time: 5 min; CAS no: 75116; Active phase: Methyl Silicone; Carrier gas: N2; Data type: Normal alkane RI; Authors: Yasuhara, A.; Morita, M.; Fuwa, K., Temperature-programmed retention indices of 221 halogenated organic compounds with 1-bromoalkanes as references, J. Chromatogr., 328, 1985, 35-48.) NIST Spectra nist ri
    • Retention Index (Linear):

      876 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 60 m; Column type: Capillary; Heat rate: 6 K/min; Start T: -50 C; End T: 180 C; CAS no: 75116; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Helmig, D.; Greenberg, J., Artifact formation from the use of potassium-iodide-based ozone traps during atmospheric sampling of trace organic gases, J. Hi. Res. Chromatogr., 18, 1995, 15-18.) NIST Spectra nist ri

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

Density: 3.2±0.1 g/cm3
Boiling Point: 182.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.1±3.0 kJ/mol
Flash Point: 76.6±13.9 °C
Index of Refraction: 1.719
Molar Refractivity: 32.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.26
ACD/KOC (pH 5.5): 549.81
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.26
ACD/KOC (pH 7.4): 549.81
Polar Surface Area: 0 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 82.7±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) =  2.35
    Log Kow (Exper. database match) =  2.30
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  173.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.21  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  6.1 deg C
    BP  (exp database):  182 deg C
    VP  (exp database):  1.20E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  204.1
       log Kow used: 2.30 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  833 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  966.94 mg/L
    Wat Sol (Exper. database match) =  833.00
       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 :   4.10E-004  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.23E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.089E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.30  (exp database)
  Log Kaw used:  -1.879  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.179
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6200
   Biowin2 (Non-Linear Model)     :   0.3112
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6073  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4613  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0353
   Biowin6 (MITI Non-Linear Model):   0.0084
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8621
 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):  160 Pa (1.2 mm Hg)
  Log Koa (Koawin est  ): 4.179
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.87E-008 
       Octanol/air (Koa) model:  3.71E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-007 
       Mackay model           :  1.5E-006 
       Octanol/air (Koa) model:  2.97E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2624 E-12 cm3/molecule-sec
      Half-Life =    40.768 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.09E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.026E-009  L/mol-sec
  Kb Half-Life at pH 8: 2.140E+007  years  
  Kb Half-Life at pH 7: 2.140E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.071 (BCF = 11.78)
       log Kow used: 2.30 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000323 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      4.637  hours
    Half-Life from Model Lake :      187.8  hours   (7.825 days)

 Removal In Wastewater Treatment:
    Total removal:              15.23  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.30  percent
    Total to Air:               12.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.9            978          1000       
   Water     24.4            900          1000       
   Soil      62.5            1.8e+003     1000       
   Sediment  0.143           8.1e+003     0          
     Persistence Time: 487 hr




                    

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