Oxoamino
[N]=O
InChI=1S/NO/c1-2
MWUXSHHQAYIFBG-UHFFFAOYSA-N
CSID:127983, http://www.chemspider.com/Chemical-Structure.127983.html (accessed 22:16, Sep 28, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
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
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