Ethyl methacrylate C6H10O2 structure – Flashcards
Flashcard maker : Joan Grant
Contents
| Molecular Formula | C6H10O2 |
| Average mass | 114.142 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 120.5±9.0 °C at 760 mmHg |
| Flash Point | 15.6±0.0 °C |
| Molar Refractivity | 31.2±0.3 cm3 |
| Polarizability | 12.4±0.5 10-24cm3 |
| Surface Tension | 24.7±3.0 dyne/cm |
| Molar Volume | 126.0±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: | 120.5±9.0 °C at 760 mmHg |
| Vapour Pressure: | 15.2±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 35.9±3.0 kJ/mol |
| Flash Point: | 15.6±0.0 °C |
| Index of Refraction: | 1.410 |
| Molar Refractivity: | 31.2±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.88 |
| ACD/LogD (pH 5.5): | 1.87 |
| ACD/BCF (pH 5.5): | 15.44 |
| ACD/KOC (pH 5.5): | 246.84 |
| ACD/LogD (pH 7.4): | 1.87 |
| ACD/BCF (pH 7.4): | 15.44 |
| ACD/KOC (pH 7.4): | 246.84 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 12.4±0.5 10-24cm3 |
| Surface Tension: | 24.7±3.0 dyne/cm |
| Molar Volume: | 126.0±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) = 1.77 Log Kow (Exper. database match) = 1.94 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 117.73 (Adapted Stein & Brown method) Melting Pt (deg C): -67.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.9 (Mean VP of Antoine & Grain methods) BP (exp database): 117 deg C VP (exp database): 2.06E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2321 log Kow used: 1.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 5400 mg/L (25 deg C) Exper. Ref: ULLMANN A21:159 Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7234.1 mg/L Wat Sol (Exper. database match) = 5400.00 Exper. Ref: ULLMANN A21:159 ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.92E-004 atm-m3/mole Group Method: 3.97E-004 atm-m3/mole Exper Database: 5.73E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.158E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.94 (exp database) Log Kaw used: -1.630 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8674 Biowin2 (Non-Linear Model) : 0.9958 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0871 (weeks ) Biowin4 (Primary Survey Model) : 3.9120 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7789 Biowin6 (MITI Non-Linear Model): 0.9004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7277 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): 2.75E+003 Pa (20.6 mm Hg) Log Koa (Koawin est ): 3.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-009 Octanol/air (Koa) model: 9.12E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.95E-008 Mackay model : 8.74E-008 Octanol/air (Koa) model: 7.3E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.7877 E-12 cm3/molecule-sec Half-Life = 0.541 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.486 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 6.34E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.7 Log Koc: 1.272 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.214E-003 L/mol-sec Kb Half-Life at pH 8: 6.834 years Kb Half-Life at pH 7: 68.343 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.794 (BCF = 6.22) log Kow used: 1.94 (expkow database) Volatilization from Water: Henry LC: 0.000573 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.182 hours Half-Life from Model Lake : 113.4 hours (4.725 days) Removal In Wastewater Treatment: Total removal: 21.74 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.77 percent Total to Air: 19.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.93 8.44 1000 Water 40.8 360 1000 Soil 55.2 720 1000 Sediment 0.135 3.24e+003 0 Persistence Time: 187 hr
Click to predict properties on the Chemicalize site
- 1-Click Docking
- 1-Click Scaffold Hop
