Methacrylic anhydride C8H10O3 structure – Flashcards
Flashcard maker : Ewan Knight
Contents
| Molecular Formula | C8H10O3 |
| Average mass | 154.163 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 202.3±0.0 °C at 760 mmHg |
| Flash Point | 84.4±0.0 °C |
| Molar Refractivity | 40.1±0.3 cm3 |
| Polarizability | 15.9±0.5 10-24cm3 |
| Surface Tension | 29.1±3.0 dyne/cm |
| Molar Volume | 151.0±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: | 202.3±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.3±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 43.9±3.0 kJ/mol |
| Flash Point: | 84.4±0.0 °C |
| Index of Refraction: | 1.443 |
| Molar Refractivity: | 40.1±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.82 |
| ACD/LogD (pH 5.5): | 1.41 |
| ACD/BCF (pH 5.5): | 6.99 |
| ACD/KOC (pH 5.5): | 140.06 |
| ACD/LogD (pH 7.4): | 1.41 |
| ACD/BCF (pH 7.4): | 6.99 |
| ACD/KOC (pH 7.4): | 140.06 |
| Polar Surface Area: | 43 Å2 |
| Polarizability: | 15.9±0.5 10-24cm3 |
| Surface Tension: | 29.1±3.0 dyne/cm |
| Molar Volume: | 151.0±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) = 1.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 132.77 (Adapted Stein & Brown method) Melting Pt (deg C): -64.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.83 (Mean VP of Antoine & Grain methods) BP (exp database): 89 @ 5 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6518 log Kow used: 1.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18164 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.44E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.748E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.23 (KowWin est) Log Kaw used: -3.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.231 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6742 Biowin2 (Non-Linear Model) : 0.6941 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8585 (weeks ) Biowin4 (Primary Survey Model) : 3.6253 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2791 Biowin6 (MITI Non-Linear Model): 0.1453 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3828 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): 1.09E+003 Pa (8.16 mm Hg) Log Koa (Koawin est ): 4.231 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-009 Octanol/air (Koa) model: 4.18E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.96E-008 Mackay model : 2.21E-007 Octanol/air (Koa) model: 3.34E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.2520 E-12 cm3/molecule-sec Half-Life = 0.295 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.541 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec Half-Life = 0.504 Days (at 7E11 mol/cm3) Half-Life = 12.090 Hrs Fraction sorbed to airborne particulates (phi): 1.6E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.833E+001 L/mol-sec Kb Half-Life at pH 8: 2.817 hours Kb Half-Life at pH 7: 1.174 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.244 (BCF = 1.756) log Kow used: 1.23 (estimated) Volatilization from Water: Henry LC: 2.44E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 31.06 hours (1.294 days) Half-Life from Model Lake : 443 hours (18.46 days) Removal In Wastewater Treatment: Total removal: 3.22 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 1.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.788 4.47 1000 Water 42.4 360 1000 Soil 56.7 720 1000 Sediment 0.09 3.24e+003 0 Persistence Time: 324 hr
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