1,2,3,4-TETRAPHENYLNAPHTHALENE C34H24 structure – Flashcards
Flashcard maker : Tiffany Hanchett
Contents
| Molecular Formula | C34H24 |
| Average mass | 432.554 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 486.1±40.0 °C at 760 mmHg |
| Flash Point | 250.2±21.4 °C |
| Molar Refractivity | 142.5±0.3 cm3 |
| Polarizability | 56.5±0.5 10-24cm3 |
| Surface Tension | 46.5±3.0 dyne/cm |
| Molar Volume | 384.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 486.1±40.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.6 mmHg at 25°C |
| Enthalpy of Vaporization: | 72.3±0.8 kJ/mol |
| Flash Point: | 250.2±21.4 °C |
| Index of Refraction: | 1.663 |
| Molar Refractivity: | 142.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 9.57 |
| ACD/LogD (pH 5.5): | 8.86 |
| ACD/BCF (pH 5.5): | 1000000.00 |
| ACD/KOC (pH 5.5): | 1579096.25 |
| ACD/LogD (pH 7.4): | 8.86 |
| ACD/BCF (pH 7.4): | 1000000.00 |
| ACD/KOC (pH 7.4): | 1579096.25 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 56.5±0.5 10-24cm3 |
| Surface Tension: | 46.5±3.0 dyne/cm |
| Molar Volume: | 384.7±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) = 10.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 650.34 (Adapted Stein & Brown method) Melting Pt (deg C): 282.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.92E-015 (Modified Grain method) Subcooled liquid VP: 3.51E-012 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): 3.555e-006 log Kow used: 10.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3257e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.83E-008 atm-m3/mole Group Method: 1.47E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.877E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.23 (KowWin est) Log Kaw used: -6.126 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.356 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0540 Biowin2 (Non-Linear Model) : 0.9831 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3313 (weeks-months) Biowin4 (Primary Survey Model) : 3.2432 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3775 Biowin6 (MITI Non-Linear Model): 0.0008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5815 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0812 BioHC Half-Life (days) : 12.0546 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.68E-010 Pa (3.51E-012 mm Hg) Log Koa (Koawin est ): 16.356 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.41E+003 Octanol/air (Koa) model: 5.57E+003 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 = 46.8195 E-12 cm3/molecule-sec Half-Life = 0.228 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.741 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 : 4.147E+009 Log Koc: 9.618 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: 10.23 (estimated) Volatilization from Water: Henry LC: 1.47E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.284E+004 hours (3452 days) Half-Life from Model Lake : 9.039E+005 hours (3.766E+004 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0611 5.48 1000 Water 1.83 900 1000 Soil 30.7 1.8e+003 1000 Sediment 67.4 8.1e+003 0 Persistence Time: 3.28e+003 hr
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