1,2-Diphenylhydrazine C12H12N2 structure – Flashcards
Flashcard maker : Tilly Wilkinson
Contents
| Molecular Formula | C12H12N2 |
| Average mass | 184.237 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 229.3±13.0 °C at 760 mmHg |
| Flash Point | 87.7±14.9 °C |
| Molar Refractivity | 60.4±0.3 cm3 |
| Polarizability | 23.9±0.5 10-24cm3 |
| Surface Tension | 52.5±3.0 dyne/cm |
| Molar Volume | 156.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.2±0.1 g/cm3 |
| Boiling Point: | 229.3±13.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 46.6±3.0 kJ/mol |
| Flash Point: | 87.7±14.9 °C |
| Index of Refraction: | 1.700 |
| Molar Refractivity: | 60.4±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.94 |
| ACD/LogD (pH 5.5): | 2.83 |
| ACD/BCF (pH 5.5): | 83.31 |
| ACD/KOC (pH 5.5): | 824.23 |
| ACD/LogD (pH 7.4): | 2.83 |
| ACD/BCF (pH 7.4): | 83.58 |
| ACD/KOC (pH 7.4): | 826.90 |
| Polar Surface Area: | 24 Å2 |
| Polarizability: | 23.9±0.5 10-24cm3 |
| Surface Tension: | 52.5±3.0 dyne/cm |
| Molar Volume: | 156.2±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) = 3.06 Log Kow (Exper. database match) = 2.94 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.78 (Adapted Stein & Brown method) Melting Pt (deg C): 81.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000105 (Modified Grain method) MP (exp database): 131 deg C BP (exp database): 309 deg C VP (exp database): 4.36E-04 mm Hg at 25 deg C Subcooled liquid VP: 0.00487 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 161.9 log Kow used: 2.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 221 mg/L (25 deg C) Exper. Ref: KUHNE,R ET AL. (1995) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 676.04 mg/L Wat Sol (Exper. database match) = 221.00 Exper. Ref: KUHNE,R ET AL. (1995) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.39E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.572E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.94 (exp database) Log Kaw used: -6.746 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.686 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9160 Biowin2 (Non-Linear Model) : 0.9818 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8360 (weeks ) Biowin4 (Primary Survey Model) : 3.5917 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1268 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3181 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): 0.649 Pa (0.00487 mm Hg) Log Koa (Koawin est ): 9.686 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.62E-006 Octanol/air (Koa) model: 0.00119 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000167 Mackay model : 0.000369 Octanol/air (Koa) model: 0.087 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.3159 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.504 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000268 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3481 Log Koc: 3.542 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 = 1.564 (BCF = 36.63) log Kow used: 2.94 (expkow database) Volatilization from Water: Henry LC: 4.39E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.81E+005 hours (7543 days) Half-Life from Model Lake : 1.975E+006 hours (8.229E+004 days) Removal In Wastewater Treatment: Total removal: 5.21 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.09 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 0.0615 3.01 1000 Water 18.8 360 1000 Soil 80.9 720 1000 Sediment 0.281 3.24e+003 0 Persistence Time: 678 hr
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