ChemSpider 2D Image | Cyanogen | C2N2

Cyanogen

  • Molecular FormulaC2N2
  • Average mass52.035 Da
  • Monoisotopic mass52.006149 Da
  • ChemSpider ID9605

More details:






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

207-306-5 [EINECS]
460-19-5 [RN]
Cyanogen [Wiki]
dicyan
dicyanogen
Ethanedinitrile [ACD/Index Name] [Wiki]
NCCN [WLN]
Oxalic acid dinitrile
oxalic nitrile
Oxalonitril [German] [ACD/IUPAC Name]
More...

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

CHEBI:29308 [DBID]
HSDB 2130 [DBID]
RCRA waste no. P031 [DBID]
RCRA waste number P031 [DBID]
UN1026 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a pungent, almond-like odor. [Note: Shipped as a liquefied compressed gas. Forms cyanide in the body.] NIOSH GT1925000
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH GT1925000
    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH GT1925000
    • Symptoms:

      Irritation eyes, nose, upper respiratory system; lacrimation (discharge of tears); cherry red lips, tachypnea, hypernea, bradycardia; headache, convulsions; dizziness, loss of appetite, weight loss; l iquid: frostbite NIOSH GT1925000
    • Target Organs:

      Eyes, respiratory system, central nervous system, cardiovascular system NIOSH GT1925000
    • Incompatibility:

      Acids, water, strong oxidizers (e.g., dichlorine oxide, fluorine) [Note: Slowly hydrolyzed in water to form hydrogen cyanide, oxalic acid, or ammonia.] NIOSH GT1925000
    • Personal Protection:

      Skin: Frostbite Eyes: Prevent eye contact/Frostbite Wash skin: No recommendation Remove: When wet (flammable) Change: No recommendation Provide: Frostbite wash NIOSH GT1925000
    • Exposure Limits:

      NIOSH REL : TWA 10 ppm (20 mg/m 3 ) OSHA PEL ?: none NIOSH GT1925000
  • Gas Chromatography
    • Retention Index (Kovats):

      711 (estimated with error: 83) NIST Spectra mainlib_273361, replib_55107
      259.2 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.15 mm; Column length: 25 m; Column type: Capillary; Start T: 20 C; CAS no: 460195; Active phase: CP Sil 5 CB; Carrier gas: H2; Phase thickness: 2 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column, J. Chromatogr., 591, 1992, 297-301.) NIST Spectra nist ri
      237 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 10 m; Column type: Capillary; Start T: 100 C; CAS no: 460195; Active phase: PoraPLOT Q; Carrier gas: H2; Phase thickness: 10 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column, J. Chromatogr., 481, 1989, 45-54.) NIST Spectra nist ri
      273 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 10 m; Column type: Capillary; Start T: 160 C; CAS no: 460195; Active phase: PoraPLOT Q; Carrier gas: H2; Phase thickness: 10 um; Data type: Kovats RI; Authors: Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column, J. Chromatogr., 481, 1989, 45-54.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: -21.2±9.0 °C at 760 mmHg
Vapour Pressure: 4306.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.3±0.0 kJ/mol
Flash Point: -91.3±12.6 °C
Index of Refraction: 1.378
Molar Refractivity: 11.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.42
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.42
Polar Surface Area: 48 Å2
Polarizability: 4.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 48.3±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) =  0.07
    Log Kow (Exper. database match) =  0.07
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  165.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.72E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -27.9 deg C
    BP  (exp database):  -21.1 deg C
    VP  (exp database):  4.30E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.185e+005
       log Kow used: 0.07 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  92367 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.45E-004  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
   Exper Database: 3.45E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.392E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.07  (exp database)
  Log Kaw used:  -1.851  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.921
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7228
   Biowin2 (Non-Linear Model)     :   0.9063
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0842  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7727  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5573
   Biowin6 (MITI Non-Linear Model):   0.7356
 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):  5.73E+005 Pa (4.3E+003 mm Hg)
  Log Koa (Koawin est  ): 1.921
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.23E-012 
       Octanol/air (Koa) model:  2.05E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.89E-010 
       Mackay model           :  4.19E-010 
       Octanol/air (Koa) model:  1.64E-009 

 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): 3.04E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.3
      Log Koc:  0.919 

 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: 0.07 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000345 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1.96  hours
    Half-Life from Model Lake :      81.87  hours   (3.411 days)

 Removal In Wastewater Treatment:
    Total removal:              15.27  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.55  percent
    Total to Air:               13.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       32.8            1e+005       1000       
   Water     42.2            360          1000       
   Soil      24.9            720          1000       
   Sediment  0.078           3.24e+003    0          
     Persistence Time: 210 hr




                    

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