Allyl methyl carbonate C5H8O3 structure – Flashcards
Flashcard maker : Alexander Barker
Contents
| Molecular Formula | C5H8O3 |
| Average mass | 116.115 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 143.2±0.0 °C at 760 mmHg |
| Flash Point | 33.9±0.0 °C |
| Molar Refractivity | 28.5±0.3 cm3 |
| Polarizability | 11.3±0.5 10-24cm3 |
| Surface Tension | 27.0±3.0 dyne/cm |
| Molar Volume | 116.0±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 143.2±0.0 °C at 760 mmHg |
| Vapour Pressure: | 5.4±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.0±3.0 kJ/mol |
| Flash Point: | 33.9±0.0 °C |
| Index of Refraction: | 1.405 |
| Molar Refractivity: | 28.5±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.98 |
| ACD/LogD (pH 5.5): | 0.92 |
| ACD/BCF (pH 5.5): | 2.94 |
| ACD/KOC (pH 5.5): | 75.27 |
| ACD/LogD (pH 7.4): | 0.92 |
| ACD/BCF (pH 7.4): | 2.94 |
| ACD/KOC (pH 7.4): | 75.27 |
| Polar Surface Area: | 36 Å2 |
| Polarizability: | 11.3±0.5 10-24cm3 |
| Surface Tension: | 27.0±3.0 dyne/cm |
| Molar Volume: | 116.0±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) = 1.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 142.50 (Adapted Stein & Brown method) Melting Pt (deg C): -96.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.67 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.241e+004 log Kow used: 1.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9557.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.15E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.981E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.08 (KowWin est) Log Kaw used: -1.477 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.557 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6923 Biowin2 (Non-Linear Model) : 0.7957 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9426 (weeks ) Biowin4 (Primary Survey Model) : 3.6802 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4351 Biowin6 (MITI Non-Linear Model): 0.4275 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5619 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 695 Pa (5.21 mm Hg) Log Koa (Koawin est ): 2.557 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.32E-009 Octanol/air (Koa) model: 8.85E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.56E-007 Mackay model : 3.45E-007 Octanol/air (Koa) model: 7.08E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.0120 E-12 cm3/molecule-sec Half-Life = 0.382 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.582 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 2.51E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.08 Log Koc: 1.448 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 = 0.131 (BCF = 1.353) log Kow used: 1.08 (estimated) Volatilization from Water: Henry LC: 0.000815 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.874 hours Half-Life from Model Lake : 110.8 hours (4.617 days) Removal In Wastewater Treatment: Total removal: 27.08 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.41 percent Total to Air: 25.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.65 6.55 1000 Water 63.6 360 1000 Soil 30.6 720 1000 Sediment 0.13 3.24e+003 0 Persistence Time: 115 hr
Click to predict properties on the Chemicalize site
