Hydroxylamine H3NO structure – Flashcards
Flashcard maker : Donna Chou
Contents
| Molecular Formula | H3NO |
| Average mass | 33.030 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 56.5±9.0 °C at 760 mmHg |
| Flash Point | |
| Molar Refractivity | 7.1±0.3 cm3 |
| Polarizability | 2.8±0.5 10-24cm3 |
| Surface Tension | 47.3±3.0 dyne/cm |
| Molar Volume | 29.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 56.5±9.0 °C at 760 mmHg |
| Vapour Pressure: | 179.1±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.9±6.0 kJ/mol |
| Flash Point: | |
| Index of Refraction: | 1.395 |
| Molar Refractivity: | 7.1±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 3 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -0.81 |
| 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: | 46 Å2 |
| Polarizability: | 2.8±0.5 10-24cm3 |
| Surface Tension: | 47.3±3.0 dyne/cm |
| Molar Volume: | 29.7±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) = -1.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 520.47 (Adapted Stein & Brown method) Melting Pt (deg C): 204.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.74E-011 (Modified Grain method) MP (exp database): 33 deg C BP (exp database): 77 @ 60 mm Hg deg C VP (exp database): 5.30E+01 mm Hg at 32 deg C Subcooled liquid VP: 4.41E-011 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): 1e+006 log Kow used: -1.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.91E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.625E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.23 (KowWin est) Log Kaw used: -6.549 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.319 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7318 Biowin2 (Non-Linear Model) : 0.9269 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1262 (weeks ) Biowin4 (Primary Survey Model) : 3.8001 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6139 Biowin6 (MITI Non-Linear Model): 0.8281 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): 5.88E-009 Pa (4.41E-011 mm Hg) Log Koa (Koawin est ): 5.319 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 510 Octanol/air (Koa) model: 5.12E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 4.09E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0000 E-12 cm3/molecule-sec Half-Life = 0.509 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.112 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (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: -1.23 (estimated) Volatilization from Water: Henry LC: 6.91E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.87E+004 hours (2029 days) Half-Life from Model Lake : 5.313E+005 hours (2.214E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.816 12.2 1000 Water 43.5 360 1000 Soil 55.6 720 1000 Sediment 0.0795 3.24e+003 0 Persistence Time: 425 hr
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