Vinyl acetate C4H6O2 structure – Flashcards
Flashcard maker : Brad Bledsoe
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C4H6O2 |
| Average mass | 86.089 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 72.5±0.0 °C at 760 mmHg |
| Flash Point | -6.7±0.0 °C |
| Molar Refractivity | 22.1±0.3 cm3 |
| Polarizability | 8.8±0.5 10-24cm3 |
| Surface Tension | 23.5±3.0 dyne/cm |
| Molar Volume | 93.1±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: | 72.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 118.5±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 31.4±3.0 kJ/mol |
| Flash Point: | -6.7±0.0 °C |
| Index of Refraction: | 1.390 |
| Molar Refractivity: | 22.1±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.73 |
| ACD/LogD (pH 5.5): | 0.81 |
| ACD/BCF (pH 5.5): | 2.41 |
| ACD/KOC (pH 5.5): | 65.33 |
| ACD/LogD (pH 7.4): | 0.81 |
| ACD/BCF (pH 7.4): | 2.41 |
| ACD/KOC (pH 7.4): | 65.33 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 8.8±0.5 10-24cm3 |
| Surface Tension: | 23.5±3.0 dyne/cm |
| Molar Volume: | 93.1±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) = 0.73 Log Kow (Exper. database match) = 0.73 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 76.05 (Adapted Stein & Brown method) Melting Pt (deg C): -83.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 119 (Mean VP of Antoine & Grain methods) MP (exp database): -93.2 deg C BP (exp database): 72.5 deg C VP (exp database): 9.02E+01 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.025e+004 log Kow used: 0.73 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2e+004 mg/L (20 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39371 mg/L Wat Sol (Exper. database match) = 20000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-003 atm-m3/mole Group Method: 3.01E-004 atm-m3/mole Exper Database: 5.11E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.456E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.73 (exp database) Log Kaw used: -1.680 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.410 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8807 Biowin2 (Non-Linear Model) : 0.9972 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1491 (weeks ) Biowin4 (Primary Survey Model) : 3.9525 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8187 Biowin6 (MITI Non-Linear Model): 0.9303 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7078 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): 1.2E+004 Pa (90.2 mm Hg) Log Koa (Koawin est ): 2.410 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.49E-010 Octanol/air (Koa) model: 6.31E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.01E-009 Mackay model : 2E-008 Octanol/air (Koa) model: 5.05E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.3422 E-12 cm3/molecule-sec Half-Life = 0.406 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.872 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.45E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.131 Log Koc: 0.788 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.666E-001 L/mol-sec Kb Half-Life at pH 8: 14.157 days Kb Half-Life at pH 7: 141.574 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.73 (expkow database) Volatilization from Water: Henry LC: 0.000511 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.01 hours Half-Life from Model Lake : 99.73 hours (4.155 days) Removal In Wastewater Treatment: Total removal: 19.94 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.49 percent Total to Air: 18.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.46 9.17 1000 Water 60.2 360 1000 Soil 33.2 720 1000 Sediment 0.116 3.24e+003 0 Persistence Time: 131 hr
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