Nitroxyl HNO structure

HNO structure
Molecular Formula HNO
Average mass 31.014 Da
Density 1.2±0.1 g/cm3
Boiling Point
Flash Point
Molar Refractivity 5.3±0.5 cm3
Polarizability 2.1±0.5 10-24cm3
Surface Tension 53.2±7.0 dyne/cm
Molar Volume 24.9±7.0 cm3

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.347
Molar Refractivity: 5.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.74
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: 41 Å2
Polarizability: 2.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 24.9±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): 461.55 (Adapted Stein & Brown method)
Melting Pt (deg C): 171.23 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.95E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -163.6 deg C
BP (exp database): -151.7 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 9.487e+004
log Kow used: 0.10 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19092 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.02E-004 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.269E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.10 (KowWin est)
Log Kaw used: -2.380 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.480
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7328
Biowin2 (Non-Linear Model) : 0.9288
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1306 (weeks )
Biowin4 (Primary Survey Model) : 3.8030 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6199
Biowin6 (MITI Non-Linear Model): 0.8362
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): 4.49E+007 Pa (3.37E+005 mm Hg)
Log Koa (Koawin est ): 2.480
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.68E-014 
Octanol/air (Koa) model: 7.41E-011 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.41E-012 
Mackay model : 5.34E-012 
Octanol/air (Koa) model: 5.93E-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): 3.88E-012 (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: 0.10 (estimated)
Volatilization from Water:
Henry LC: 0.000102 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.765 hours
Half-Life from Model Lake : 87.76 hours (3.657 days)
Removal In Wastewater Treatment:
Total removal: 6.75 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.68 percent
Total to Air: 4.97 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 19.9 1e+005 1000 
Water 42.8 360 1000 
Soil 37.2 720 1000 
Sediment 0.0792 3.24e+003 0 
Persistence Time: 278 hr

Click to predict properties on the Chemicalize site

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