Glycerin monoacetate C5H10O4 structure – Flashcards
Flashcard maker : Patricia Smith
Molecular Formula | C5H10O4 |
Average mass | 134.130 Da |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 274.4±20.0 °C at 760 mmHg |
Flash Point | 118.0±15.3 °C |
Molar Refractivity | 30.0±0.3 cm3 |
Polarizability | 11.9±0.5 10-24cm3 |
Surface Tension | 46.2±3.0 dyne/cm |
Molar Volume | 109.9±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.2±0.1 g/cm3 |
Boiling Point: | 274.4±20.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±1.3 mmHg at 25°C |
Enthalpy of Vaporization: | 59.5±6.0 kJ/mol |
Flash Point: | 118.0±15.3 °C |
Index of Refraction: | 1.458 |
Molar Refractivity: | 30.0±0.3 cm3 |
#H bond acceptors: | 4 |
#H bond donors: | 2 |
#Freely Rotating Bonds: | 4 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | -1.04 |
ACD/LogD (pH 5.5): | -0.89 |
ACD/BCF (pH 5.5): | 1.00 |
ACD/KOC (pH 5.5): | 7.83 |
ACD/LogD (pH 7.4): | -0.89 |
ACD/BCF (pH 7.4): | 1.00 |
ACD/KOC (pH 7.4): | 7.83 |
Polar Surface Area: | 67 Å2 |
Polarizability: | 11.9±0.5 10-24cm3 |
Surface Tension: | 46.2±3.0 dyne/cm |
Molar Volume: | 109.9±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) = -1.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 245.73 (Adapted Stein & Brown method) Melting Pt (deg C): 25.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00252 (Modified Grain method) Subcooled liquid VP: 0.00257 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.13E-010 atm-m3/mole Group Method: 4.88E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.447E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.24 (KowWin est) Log Kaw used: -7.773 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.533 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1753 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3629 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1421 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0277 Biowin6 (MITI Non-Linear Model): 0.9799 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0800 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): 0.343 Pa (0.00257 mm Hg) Log Koa (Koawin est ): 6.533 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.75E-006 Octanol/air (Koa) model: 8.38E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000316 Mackay model : 0.0007 Octanol/air (Koa) model: 6.7E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.0599 E-12 cm3/molecule-sec Half-Life = 0.819 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.828 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000508 (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 : 9.082E-002 L/mol-sec Kb Half-Life at pH 8: 88.325 days Kb Half-Life at pH 7: 2.418 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.24 (estimated) Volatilization from Water: Henry LC: 4.13E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.642E+006 hours (6.841E+004 days) Half-Life from Model Lake : 1.791E+007 hours (7.463E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0145 19.7 1000 Water 34.5 208 1000 Soil 65.4 416 1000 Sediment 0.0597 1.87e+003 0 Persistence Time: 386 hr
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