Cyanogen C2N2 structure

C2N2 structure
Molecular Formula C2N2
Average mass 52.035 Da
Density 1.1±0.1 g/cm3
Boiling Point -21.2±9.0 °C at 760 mmHg
Flash Point -91.3±12.6 °C
Molar Refractivity 11.1±0.3 cm3
Polarizability 4.4±0.5 10-24cm3
Surface Tension 49.7±3.0 dyne/cm
Molar Volume 48.3±3.0 cm3
  • 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

Click to predict properties on the Chemicalize site

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