Nitric acid HNO3 structure

HNO3 structure
Molecular Formula HNO3
Average mass 63.013 Da
Density 1.6±0.1 g/cm3
Boiling Point 83.0±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity 9.6±0.3 cm3
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 ACD/Labs Percepta Platform – PhysChem Module

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

Click to predict properties on the Chemicalize site

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