ChemSpider 2D Image | nitrosyl chloride | ClNO

nitrosyl chloride

  • Molecular FormulaClNO
  • Average mass65.459 Da
  • Monoisotopic mass64.966843 Da
  • ChemSpider ID16641

More details:






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

220-273-1 [EINECS]
2696-92-6 [RN]
74734-38-6 [RN]
Nitrogen chloride oxide (nocl)
Nitrogen oxide chloride (NOCl)
Nitrogen oxychloride
Nitrogen oxychloride (NOCl)
nitrooyl chloride
Nitrosonium chloride
NITROSYL CHLORIDE
More...

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

HSDB 849 [DBID]
UN1069 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: -5.5±9.0 °C at 760 mmHg
Vapour Pressure: 2180.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.8±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.433
Molar Refractivity: 11.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.07
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: 29 Å2
Polarizability: 4.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 42.5±7.0 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) =  0.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  470.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  180.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.47E-007  (Modified Grain method)
    MP  (exp database):  -61.5 deg C
    VP  (exp database):  2.41E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.124e+005
       log Kow used: 0.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40296 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.96E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.126E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.10  (KowWin est)
  Log Kaw used:  -1.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.196
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7164
   Biowin2 (Non-Linear Model)     :   0.8889
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0545  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7533  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5174
   Biowin6 (MITI Non-Linear Model):   0.6538
 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):  3.21E+005 Pa (2.41E+003 mm Hg)
  Log Koa (Koawin est  ): 1.196
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.34E-012 
       Octanol/air (Koa) model:  3.85E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.37E-010 
       Mackay model           :  7.47E-010 
       Octanol/air (Koa) model:  3.08E-010 

 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): 5.42E-010 (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]:
    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: 0.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.00196 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.067  hours
    Half-Life from Model Lake :      79.48  hours   (3.312 days)

 Removal In Wastewater Treatment:
    Total removal:              45.03  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.09  percent
    Total to Air:               43.88  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.9            1e+005       1000       
   Water     43.1            360          1000       
   Soil      13.9            720          1000       
   Sediment  0.0797          3.24e+003    0          
     Persistence Time: 176 hr




                    

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