azomethane C2H6N2 structure – Flashcards
Flashcard maker : Patricia Harrah
| Molecular Formula | C2H6N2 |
| Average mass | 58.082 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 1.5±9.0 °C at 760 mmHg |
| Flash Point | -55.0±19.6 °C |
| Molar Refractivity | 17.5±0.5 cm3 |
| Polarizability | 6.9±0.5 10-24cm3 |
| Surface Tension | 22.9±7.0 dyne/cm |
| Molar Volume | 71.4±7.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 1.5±9.0 °C at 760 mmHg |
| Vapour Pressure: | 1721.2±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 24.0±3.0 kJ/mol |
| Flash Point: | -55.0±19.6 °C |
| Index of Refraction: | 1.405 |
| Molar Refractivity: | 17.5±0.5 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.65 |
| ACD/LogD (pH 5.5): | 1.44 |
| ACD/BCF (pH 5.5): | 7.37 |
| ACD/KOC (pH 5.5): | 145.41 |
| ACD/LogD (pH 7.4): | 1.44 |
| ACD/BCF (pH 7.4): | 7.37 |
| ACD/KOC (pH 7.4): | 145.41 |
| Polar Surface Area: | 25 Å2 |
| Polarizability: | 6.9±0.5 10-24cm3 |
| Surface Tension: | 22.9±7.0 dyne/cm |
| Molar Volume: | 71.4±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) = 1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 13.11 (Adapted Stein & Brown method) Melting Pt (deg C): -133.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.76E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -78 deg C BP (exp database): 1.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1873 log Kow used: 1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12753 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.101E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (KowWin est) Log Kaw used: -2.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.701 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4781 Biowin2 (Non-Linear Model) : 0.0024 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7705 (weeks ) Biowin4 (Primary Survey Model) : 3.7111 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4943 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.32E+005 Pa (1.74E+003 mm Hg) Log Koa (Koawin est ): 3.701 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-011 Octanol/air (Koa) model: 1.23E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.67E-010 Mackay model : 1.03E-009 Octanol/air (Koa) model: 9.86E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2720 E-12 cm3/molecule-sec Half-Life = 39.323 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.51E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.109 Log Koc: 0.614 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 = 0.592 (BCF = 3.907) log Kow used: 1.68 (estimated) Volatilization from Water: Henry LC: 0.000233 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.693 hours Half-Life from Model Lake : 93.28 hours (3.887 days) Removal In Wastewater Treatment: Total removal: 11.84 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 9.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 20 944 1000 Water 33.6 360 1000 Soil 46.4 720 1000 Sediment 0.0891 3.24e+003 0 Persistence Time: 280 hr
