Isobutyl cyanoacrylate C8H11NO2 structure – Flashcards
Flashcard maker : Shelby Arnold
| Molecular Formula | C8H11NO2 |
| Average mass | 153.178 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 225.7±23.0 °C at 760 mmHg |
| Flash Point | 96.5±9.4 °C |
| Molar Refractivity | 40.3±0.3 cm3 |
| Polarizability | 16.0±0.5 10-24cm3 |
| Surface Tension | 33.0±3.0 dyne/cm |
| Molar Volume | 152.7±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 225.7±23.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 46.2±3.0 kJ/mol |
| Flash Point: | 96.5±9.4 °C |
| Index of Refraction: | 1.441 |
| Molar Refractivity: | 40.3±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.11 |
| ACD/LogD (pH 5.5): | 1.48 |
| ACD/BCF (pH 5.5): | 7.84 |
| ACD/KOC (pH 5.5): | 151.93 |
| ACD/LogD (pH 7.4): | 1.48 |
| ACD/BCF (pH 7.4): | 7.84 |
| ACD/KOC (pH 7.4): | 151.93 |
| Polar Surface Area: | 50 Å2 |
| Polarizability: | 16.0±0.5 10-24cm3 |
| Surface Tension: | 33.0±3.0 dyne/cm |
| Molar Volume: | 152.7±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) = 2.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 230.81 (Adapted Stein & Brown method) Melting Pt (deg C): 2.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0749 (Mean VP of Antoine & Grain methods) MP (exp database): 8 at 25 deg C : 1.752E-003 L/mol-sec Kb Half-Life at pH 8: 12.537 years Kb Half-Life at pH 7: 125.369 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.091 (BCF = 12.33) log Kow used: 2.33 (estimated) Volatilization from Water: Henry LC: 4.82E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1505 hours (62.69 days) Half-Life from Model Lake : 1.652E+004 hours (688.3 days) Removal In Wastewater Treatment: Total removal: 2.72 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.60 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.92 34.1 1000 Water 26.4 360 1000 Soil 71.5 720 1000 Sediment 0.142 3.24e+003 0 Persistence Time: 489 hr
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