Formaldehyde dimethylhydrazone C3H8N2 structure – Flashcards
Flashcard maker : Misty Porter
| Molecular Formula | C3H8N2 |
| Average mass | 72.109 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 60.0±23.0 °C at 760 mmHg |
| Flash Point | -9.9±22.6 °C |
| Molar Refractivity | 22.8±0.5 cm3 |
| Polarizability | 9.0±0.5 10-24cm3 |
| Surface Tension | 22.1±7.0 dyne/cm |
| Molar Volume | 92.9±7.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 60.0±23.0 °C at 760 mmHg |
| Vapour Pressure: | 196.7±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.2±3.0 kJ/mol |
| Flash Point: | -9.9±22.6 °C |
| Index of Refraction: | 1.406 |
| Molar Refractivity: | 22.8±0.5 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.73 |
| ACD/LogD (pH 5.5): | -0.99 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | 0.25 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 17.02 |
| Polar Surface Area: | 16 Å2 |
| Polarizability: | 9.0±0.5 10-24cm3 |
| Surface Tension: | 22.1±7.0 dyne/cm |
| Molar Volume: | 92.9±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) = 0.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 46.95 (Adapted Stein & Brown method) Melting Pt (deg C): -101.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 330 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.525e+004 log Kow used: 0.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.7979e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.45E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.883E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.68 (KowWin est) Log Kaw used: -2.740 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.420 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7132 Biowin2 (Non-Linear Model) : 0.8792 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0398 (weeks ) Biowin4 (Primary Survey Model) : 3.7437 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5478 Biowin6 (MITI Non-Linear Model): 0.7135 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7029 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): 4.37E+004 Pa (328 mm Hg) Log Koa (Koawin est ): 3.420 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.86E-011 Octanol/air (Koa) model: 6.46E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.48E-009 Mackay model : 5.49E-009 Octanol/air (Koa) model: 5.17E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4636 E-12 cm3/molecule-sec Half-Life = 3.088 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.98E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 38.21 Log Koc: 1.582 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: 0.68 (estimated) Volatilization from Water: Henry LC: 4.45E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.04 hours Half-Life from Model Lake : 202.5 hours (8.439 days) Removal In Wastewater Treatment: Total removal: 4.17 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 2.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.01 74.1 1000 Water 44.6 360 1000 Soil 47.3 720 1000 Sediment 0.0854 3.24e+003 0 Persistence Time: 302 hr
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