methanal 2,4-dinitrophenylhydrazone C7H6N4O4 structure – Flashcards
Flashcard maker : Kayden Hussain
Contents
| Molecular Formula | C7H6N4O4 |
| Average mass | 210.147 Da |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 357.8±52.0 °C at 760 mmHg |
| Flash Point | 170.2±30.7 °C |
| Molar Refractivity | 49.5±0.5 cm3 |
| Polarizability | 19.6±0.5 10-24cm3 |
| Surface Tension | 69.4±7.0 dyne/cm |
| Molar Volume | 136.1±7.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.5±0.1 g/cm3 |
| Boiling Point: | 357.8±52.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.8 mmHg at 25°C |
| Enthalpy of Vaporization: | 60.3±3.0 kJ/mol |
| Flash Point: | 170.2±30.7 °C |
| Index of Refraction: | 1.648 |
| Molar Refractivity: | 49.5±0.5 cm3 |
| #H bond acceptors: | 8 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.22 |
| ACD/LogD (pH 5.5): | 2.29 |
| ACD/BCF (pH 5.5): | 32.40 |
| ACD/KOC (pH 5.5): | 419.61 |
| ACD/LogD (pH 7.4): | 2.29 |
| ACD/BCF (pH 7.4): | 32.36 |
| ACD/KOC (pH 7.4): | 419.11 |
| Polar Surface Area: | 116 Å2 |
| Polarizability: | 19.6±0.5 10-24cm3 |
| Surface Tension: | 69.4±7.0 dyne/cm |
| Molar Volume: | 136.1±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) = -0.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 502.70 (Adapted Stein & Brown method) Melting Pt (deg C): 213.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E-012 (Modified Grain method) Subcooled liquid VP: 1.54E-010 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): 2.81e+004 log Kow used: -0.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6885.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.493E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.30 (KowWin est) Log Kaw used: -18.048 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.748 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3420 Biowin2 (Non-Linear Model) : 0.0760 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5629 (weeks-months) Biowin4 (Primary Survey Model) : 3.4347 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0388 Biowin6 (MITI Non-Linear Model): 0.0072 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0760 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): 2.05E-008 Pa (1.54E-010 mm Hg) Log Koa (Koawin est ): 17.748 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 146 Octanol/air (Koa) model: 1.37E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.0738 E-12 cm3/molecule-sec Half-Life = 5.158 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 61.891 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 : 927.9 Log Koc: 2.968 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: -0.30 (estimated) Volatilization from Water: Henry LC: 2.19E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.885E+016 hours (1.619E+015 days) Half-Life from Model Lake : 4.238E+017 hours (1.766E+016 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 2.47e-009 124 1000 Water 46.1 900 1000 Soil 53.8 1.8e+003 1000 Sediment 0.0889 8.1e+003 0 Persistence Time: 977 hr
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