allyl vinyl ether C5H8O structure – Flashcards
Flashcard maker : Jennifer Hawkins
Contents
| Molecular Formula | C5H8O |
| Average mass | 84.116 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 78.4±19.0 °C at 760 mmHg |
| Flash Point | -5.0±13.5 °C |
| Molar Refractivity | 26.4±0.3 cm3 |
| Polarizability | 10.5±0.5 10-24cm3 |
| Surface Tension | 20.4±3.0 dyne/cm |
| Molar Volume | 107.6±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 78.4±19.0 °C at 760 mmHg |
| Vapour Pressure: | 102.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.6±3.0 kJ/mol |
| Flash Point: | -5.0±13.5 °C |
| Index of Refraction: | 1.406 |
| Molar Refractivity: | 26.4±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.29 |
| ACD/LogD (pH 5.5): | 1.46 |
| ACD/BCF (pH 5.5): | 7.64 |
| ACD/KOC (pH 5.5): | 149.16 |
| ACD/LogD (pH 7.4): | 1.46 |
| ACD/BCF (pH 7.4): | 7.64 |
| ACD/KOC (pH 7.4): | 149.16 |
| Polar Surface Area: | 9 Å2 |
| Polarizability: | 10.5±0.5 10-24cm3 |
| Surface Tension: | 20.4±3.0 dyne/cm |
| Molar Volume: | 107.6±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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 68.75 (Adapted Stein & Brown method) Melting Pt (deg C): -90.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 167 (Mean VP of Antoine & Grain methods) BP (exp database): 66 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.062e+004 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16777 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.53E-003 atm-m3/mole Group Method: 5.73E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.741E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -0.512 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.782 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3601 Biowin2 (Non-Linear Model) : 0.1659 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0046 (weeks ) Biowin4 (Primary Survey Model) : 3.7166 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5499 Biowin6 (MITI Non-Linear Model): 0.6435 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1637 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.19E+004 Pa (164 mm Hg) Log Koa (Koawin est ): 1.782 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.37E-010 Octanol/air (Koa) model: 1.49E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.96E-009 Mackay model : 1.1E-008 Octanol/air (Koa) model: 1.19E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.1874 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.939 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.075000 E-17 cm3/molecule-sec Half-Life = 0.552 Days (at 7E11 mol/cm3) Half-Life = 13.255 Hrs Fraction sorbed to airborne particulates (phi): 7.97E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.106 Log Koc: 0.909 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 = 0.276 (BCF = 1.888) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 0.00573 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.03 hours Half-Life from Model Lake : 88.14 hours (3.672 days) Removal In Wastewater Treatment: Total removal: 69.52 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.77 percent Total to Air: 68.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.53 3 1000 Water 85.4 360 1000 Soil 9.87 720 1000 Sediment 0.184 3.24e+003 0 Persistence Time: 74.1 hr
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