Methacryl alcohol C4H8O structure – Flashcards
Flashcard maker : Kael Dunlap
Contents
| Molecular Formula | C4H8O |
| Average mass | 72.106 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 116.3±8.0 °C at 760 mmHg |
| Flash Point | 33.3±0.0 °C |
| Molar Refractivity | 21.7±0.3 cm3 |
| Polarizability | 8.6±0.5 10-24cm3 |
| Surface Tension | 24.4±3.0 dyne/cm |
| Molar Volume | 87.0±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 116.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 9.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 41.3±6.0 kJ/mol |
| Flash Point: | 33.3±0.0 °C |
| Index of Refraction: | 1.413 |
| Molar Refractivity: | 21.7±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.72 |
| ACD/LogD (pH 5.5): | 0.63 |
| ACD/BCF (pH 5.5): | 1.78 |
| ACD/KOC (pH 5.5): | 52.60 |
| ACD/LogD (pH 7.4): | 0.63 |
| ACD/BCF (pH 7.4): | 1.78 |
| ACD/KOC (pH 7.4): | 52.60 |
| Polar Surface Area: | 20 Å2 |
| Polarizability: | 8.6±0.5 10-24cm3 |
| Surface Tension: | 24.4±3.0 dyne/cm |
| Molar Volume: | 87.0±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) = 0.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.69 (Adapted Stein & Brown method) Melting Pt (deg C): -72.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 14.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.757e+004 log Kow used: 0.76 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.94e+005 mg/L (20 deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0155e+005 mg/L Wat Sol (Exper. database match) = 194000.00 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.78E-006 atm-m3/mole Group Method: 7.39E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.449E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.76 (KowWin est) Log Kaw used: -3.445 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.205 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8719 Biowin2 (Non-Linear Model) : 0.9570 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1998 (weeks ) Biowin4 (Primary Survey Model) : 3.8732 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7210 Biowin6 (MITI Non-Linear Model): 0.8759 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7682 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): 1.85E+003 Pa (13.9 mm Hg) Log Koa (Koawin est ): 4.205 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-009 Octanol/air (Koa) model: 3.94E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-008 Mackay model : 1.29E-007 Octanol/air (Koa) model: 3.15E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.9450 E-12 cm3/molecule-sec Half-Life = 0.195 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.336 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): 9.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.048 Log Koc: 0.311 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 = 0.500 (BCF = 3.162) log Kow used: 0.76 (estimated) Volatilization from Water: Henry LC: 8.78E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 57.49 hours (2.396 days) Half-Life from Model Lake : 698.4 hours (29.1 days) Removal In Wastewater Treatment: Total removal: 2.35 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.622 3.88 1000 Water 46.1 360 1000 Soil 53.2 720 1000 Sediment 0.0888 3.24e+003 0 Persistence Time: 330 hr
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