ChemSpider 2D Image | Nitric acid | HNO3

Nitric acid

  • Molecular FormulaHNO3
  • Average mass63.013 Da
  • Monoisotopic mass62.995644 Da
  • ChemSpider ID919

More details:



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

Nitric acid [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
7697-37-2 [RN]
Acid, Nitric
acide azotique
Acide nitrique [French] [ACD/IUPAC Name]
Acidum nitricum
Aqua fortis
Azotowy kwas [Polish]
Engraver's acid
Kyselina dusicne [Czech]
More...

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

QU5775000 [DBID]
QU5900000 [DBID]
UN 2032 [DBID]
02650_FLUKA [DBID]
07006_RIEDEL [DBID]
16355_FLUKA [DBID]
17078_FLUKA [DBID]
225711_ALDRICH [DBID]
258113_SIAL [DBID]
258121_SIAL [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 83.0±9.0 °C at 760 mmHg
Vapour Pressure: 49.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.7±6.0 kJ/mol
Flash Point:
Index of Refraction: 1.409
Molar Refractivity: 9.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.13
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: 66 Å2
Polarizability: 3.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 38.8±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) =  0.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  492.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  189.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.08E-010  (Modified Grain method)
    Subcooled liquid VP: 4.23E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.09e+004
       log Kow used: 0.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  57149 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-002  atm-m3/mole
   Group Method:   2.45E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.251E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.21  (KowWin est)
  Log Kaw used:  0.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.209
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7180
   Biowin2 (Non-Linear Model)     :   0.8936
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0621  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7583  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5277
   Biowin6 (MITI Non-Linear Model):   0.6760
 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):  5.64E-006 Pa (4.23E-008 mm Hg)
  Log Koa (Koawin est  ): 0.209
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.532 
       Octanol/air (Koa) model:  3.97E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.951 
       Mackay model           :  0.977 
       Octanol/air (Koa) model:  3.18E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.3600 E-12 cm3/molecule-sec
      Half-Life =    29.711 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.964 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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: 0.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.0245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:     0.8223  hours   (49.34 min)
    Half-Life from Model Lake :      74.99  hours   (3.125 days)

 Removal In Wastewater Treatment:
    Total removal:              90.51  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.40  percent
    Total to Air:               90.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       37.4            713          1000       
   Water     56.5            360          1000       
   Soil      5.99            720          1000       
   Sediment  0.105           3.24e+003    0          
     Persistence Time: 172 hr




                    

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