Butyl isobutyrate C8H16O2 structure – Flashcards
Flashcard maker : Darren Farr
Contents
| Molecular Formula | C8H16O2 |
| Average mass | 144.211 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 156.3±8.0 °C at 760 mmHg |
| Flash Point | 46.7±8.3 °C |
| Molar Refractivity | 40.8±0.3 cm3 |
| Polarizability | 16.2±0.5 10-24cm3 |
| Surface Tension | 26.3±3.0 dyne/cm |
| Molar Volume | 164.4±3.0 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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 156.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 2.9±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 39.3±3.0 kJ/mol |
| Flash Point: | 46.7±8.3 °C |
| Index of Refraction: | 1.411 |
| Molar Refractivity: | 40.8±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.65 |
| ACD/LogD (pH 5.5): | 2.42 |
| ACD/BCF (pH 5.5): | 40.51 |
| ACD/KOC (pH 5.5): | 492.37 |
| ACD/LogD (pH 7.4): | 2.42 |
| ACD/BCF (pH 7.4): | 40.51 |
| ACD/KOC (pH 7.4): | 492.37 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 16.2±0.5 10-24cm3 |
| Surface Tension: | 26.3±3.0 dyne/cm |
| Molar Volume: | 164.4±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) = 2.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 157.09 (Adapted Stein & Brown method) Melting Pt (deg C): -43.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.18 (Mean VP of Antoine & Grain methods) MP (exp database): 8 at 25 deg C : 3.709E-002 L/mol-sec Kb Half-Life at pH 8: 216.263 days Kb Half-Life at pH 7: 5.921 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.421 (BCF = 26.39) log Kow used: 2.76 (estimated) Volatilization from Water: Henry LC: 0.000974 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.947 hours Half-Life from Model Lake : 121.9 hours (5.081 days) Removal In Wastewater Treatment: Total removal: 31.55 percent Total biodegradation: 0.09 percent Total sludge adsorption: 3.28 percent Total to Air: 28.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.92 46.7 1000 Water 25 208 1000 Soil 64.9 416 1000 Sediment 0.216 1.87e+003 0 Persistence Time: 216 hr
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