Methoxyethane C3H8O structure – Flashcards
Flashcard maker : Tilly Wilkinson
| Molecular Formula | C3H8O |
| Average mass | 60.095 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 6.8±3.0 °C at 760 mmHg |
| Flash Point | -58.4±5.7 °C |
| Molar Refractivity | 17.7±0.3 cm3 |
| Polarizability | 7.0±0.5 10-24cm3 |
| Surface Tension | 16.9±3.0 dyne/cm |
| Molar Volume | 84.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| Boiling Point: | 6.8±3.0 °C at 760 mmHg |
| Vapour Pressure: | 1437.2±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 24.5±3.0 kJ/mol |
| Flash Point: | -58.4±5.7 °C |
| Index of Refraction: | 1.340 |
| Molar Refractivity: | 17.7±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.45 |
| ACD/LogD (pH 5.5): | 0.65 |
| ACD/BCF (pH 5.5): | 1.85 |
| ACD/KOC (pH 5.5): | 53.95 |
| ACD/LogD (pH 7.4): | 0.65 |
| ACD/BCF (pH 7.4): | 1.85 |
| ACD/KOC (pH 7.4): | 53.95 |
| Polar Surface Area: | 9 Å2 |
| Polarizability: | 7.0±0.5 10-24cm3 |
| Surface Tension: | 16.9±3.0 dyne/cm |
| Molar Volume: | 84.4±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) = 0.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 20.62 (Adapted Stein & Brown method) Melting Pt (deg C): -114.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.39E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -113 deg C BP (exp database): 7.4 deg C VP (exp database): 1.49E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.579e+004 log Kow used: 0.56 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 5e+004 mg/L (25 deg C) Exper. Ref: YAWS,CL (1992A) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3277e+005 mg/L Wat Sol (Exper. database match) = 50000.00 Exper. Ref: YAWS,CL (1992A) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.14E-003 atm-m3/mole Group Method: 6.74E-004 atm-m3/mole Exper Database: 1.20E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.313E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.56 (KowWin est) Log Kaw used: -1.309 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.869 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3716 Biowin2 (Non-Linear Model) : 0.2186 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0577 (weeks ) Biowin4 (Primary Survey Model) : 3.7513 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5851 Biowin6 (MITI Non-Linear Model): 0.7599 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4457 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): 1.99E+005 Pa (1.49E+003 mm Hg) Log Koa (Koawin est ): 1.869 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.51E-011 Octanol/air (Koa) model: 1.82E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.45E-010 Mackay model : 1.21E-009 Octanol/air (Koa) model: 1.45E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.0030 E-12 cm3/molecule-sec Half-Life = 1.527 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.328 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.77E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.383 Log Koc: 0.377 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: 0.56 (estimated) Volatilization from Water: Henry LC: 0.0012 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.169 hours Half-Life from Model Lake : 77.76 hours (3.24 days) Removal In Wastewater Treatment: Total removal: 34.33 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.27 percent Total to Air: 32.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 22.7 36.6 1000 Water 59.5 360 1000 Soil 17.7 720 1000 Sediment 0.112 3.24e+003 0 Persistence Time: 118 hr
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