tert-Butylacetat C6H12O2 structure – Flashcards
Flashcard maker : Lesly Nixon
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Flash Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
| Molecular Formula | C6H12O2 |
| Average mass | 116.158 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 98.0±8.0 °C at 760 mmHg |
| Flash Point | 15.6±0.0 °C |
| Molar Refractivity | 31.6±0.3 cm3 |
| Polarizability | 12.5±0.5 10-24cm3 |
| Surface Tension | 24.2±3.0 dyne/cm |
| Molar Volume | 131.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 98.0±8.0 °C at 760 mmHg |
| Vapour Pressure: | 40.6±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 33.1±0.0 kJ/mol |
| Flash Point: | 15.6±0.0 °C |
| Index of Refraction: | 1.397 |
| Molar Refractivity: | 31.6±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.40 |
| ACD/LogD (pH 5.5): | 1.79 |
| ACD/BCF (pH 5.5): | 13.57 |
| ACD/KOC (pH 5.5): | 225.08 |
| ACD/LogD (pH 7.4): | 1.79 |
| ACD/BCF (pH 7.4): | 13.57 |
| ACD/KOC (pH 7.4): | 225.08 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 12.5±0.5 10-24cm3 |
| Surface Tension: | 24.2±3.0 dyne/cm |
| Molar Volume: | 131.1±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) = 1.74 Log Kow (Exper. database match) = 1.76 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 102.32 (Adapted Stein & Brown method) Melting Pt (deg C): -62.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 42.6 (Mean VP of Antoine & Grain methods) MP (exp database): 8 at 25 deg C : 4.610E-002 L/mol-sec Kb Half-Life at pH 8: 174.013 days Kb Half-Life at pH 7: 4.764 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.655 (BCF = 4.521) log Kow used: 1.76 (expkow database) Volatilization from Water: Henry LC: 0.000862 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.832 hours Half-Life from Model Lake : 110.4 hours (4.598 days) Removal In Wastewater Treatment: Total removal: 28.17 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.55 percent Total to Air: 26.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 32.1 570 1000 Water 36.6 360 1000 Soil 31.2 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 201 hr
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