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ChemSpider 2D Image | Cyanide anion | CN

Cyanide anion

  • Molecular FormulaCN
  • Average mass26.018 Da
  • Monoisotopic mass26.003622 Da
  • ChemSpider ID5755
  • Charge - Charge


More details:






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

Cyanide anion
200-821-6 [EINECS]
57-12-5 [RN]
Cyanid [German] [ACD/IUPAC Name]
Cyanide [ACD/IUPAC Name] [Wiki]
CYANIDE ION
Cyanure [French] [ACD/IUPAC Name]
Hydrocyanic acid, ion(1-) [ACD/Index Name]
Carbon nitride ion
More...

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

UNII:OXN4E7L11K [DBID]
28491_FLUKA [DBID]
AIDS032152 [DBID]
AIDS-032152 [DBID]
BRN 1900509 [DBID]
C00177 [DBID]
CHEBI:17514 [DBID]
CYN [DBID]
RCRA waste no. P030 [DBID]
RCRA waste number P030 [DBID]
More...

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#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: 24 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.69
    Log Kow (Exper. database match) =  -0.25
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  48.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -87.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  732  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -13.4 deg C
    BP  (exp database):  26 deg C
    VP  (exp database):  7.42E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.54e+004
       log Kow used: -0.25 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  METCALF,RL (1978)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.0715e+005 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  METCALF,RL (1978)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.42E-002  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
   Exper Database: 1.33E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.729E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.25  (exp database)
  Log Kaw used:  -2.265  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.015
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7347
   Biowin2 (Non-Linear Model)     :   0.9324
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1394  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8087  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6317
   Biowin6 (MITI Non-Linear Model):   0.8514
 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):  9.89E+004 Pa (742 mm Hg)
  Log Koa (Koawin est  ): 2.015
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.03E-011 
       Octanol/air (Koa) model:  2.54E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.1E-009 
       Mackay model           :  2.43E-009 
       Octanol/air (Koa) model:  2.03E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0300 E-12 cm3/molecule-sec
      Half-Life =   356.533 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.76E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.71
      Log Koc:  0.433 

 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: -0.25 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000133 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.819  hours
    Half-Life from Model Lake :      74.35  hours   (3.098 days)

 Removal In Wastewater Treatment:
    Total removal:               8.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.66  percent
    Total to Air:                6.26  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22.3            8.56e+003    1000       
   Water     42.9            360          1000       
   Soil      34.7            720          1000       
   Sediment  0.0789          3.24e+003    0          
     Persistence Time: 261 hr




                    

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