Ethanoic anhydride C4H6O3 structure – Flashcards
Flashcard maker : Charles Clay
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 | C4H6O3 |
| Average mass | 102.089 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 141.1±8.0 °C at 760 mmHg |
| Flash Point | 54.4±0.0 °C |
| Molar Refractivity | 22.4±0.3 cm3 |
| Polarizability | 8.9±0.5 10-24cm3 |
| Surface Tension | 29.1±3.0 dyne/cm |
| Molar Volume | 95.2±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 141.1±8.0 °C at 760 mmHg |
| Vapour Pressure: | 5.9±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.8±3.0 kJ/mol |
| Flash Point: | 54.4±0.0 °C |
| Index of Refraction: | 1.387 |
| Molar Refractivity: | 22.4±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -0.48 |
| ACD/LogD (pH 5.5): | 0.04 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 24.90 |
| ACD/LogD (pH 7.4): | 0.04 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 24.90 |
| Polar Surface Area: | 43 Å2 |
| Polarizability: | 8.9±0.5 10-24cm3 |
| Surface Tension: | 29.1±3.0 dyne/cm |
| Molar Volume: | 95.2±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) = -0.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 52.62 (Adapted Stein & Brown method) Melting Pt (deg C): -95.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.5 (Mean VP of Antoine & Grain methods) MP (exp database): -73 deg C BP (exp database): 139.5 deg C VP (exp database): 5.10E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.588e+005 log Kow used: -0.58 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.2e+005 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.85e+005 mg/L Wat Sol (Exper. database match) = 120000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.57E-005 atm-m3/mole Group Method: Incomplete Exper Database: 5.71E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.433E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.58 (KowWin est) Log Kaw used: -3.632 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.052 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6989 Biowin2 (Non-Linear Model) : 0.8262 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9736 (weeks ) Biowin4 (Primary Survey Model) : 3.7004 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4092 Biowin6 (MITI Non-Linear Model): 0.4055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 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): 680 Pa (5.1 mm Hg) Log Koa (Koawin est ): 3.052 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.41E-009 Octanol/air (Koa) model: 2.77E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.59E-007 Mackay model : 3.53E-007 Octanol/air (Koa) model: 2.21E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0843 E-12 cm3/molecule-sec Half-Life = 126.850 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.56E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.569E+003 L/mol-sec Kb Half-Life at pH 8: 4.496 minutes Kb Half-Life at pH 7: 44.959 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.58 (estimated) Volatilization from Water: Henry LC: 5.71E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 104.6 hours (4.36 days) Half-Life from Model Lake : 1226 hours (51.09 days) Removal In Wastewater Treatment: Total removal: 2.16 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.22 3.04e+003 1000 Water 44.5 360 1000 Soil 46.2 720 1000 Sediment 0.0816 3.24e+003 0 Persistence Time: 372 hr
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