2-Hydroxyethyl acrylate C5H8O3 structure – Flashcards
Flashcard maker : Lesly Lloyd
Contents
| Molecular Formula | C5H8O3 |
| Average mass | 116.115 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 196.2±23.0 °C at 760 mmHg |
| Flash Point | 98.3±0.0 °C |
| Molar Refractivity | 28.2±0.3 cm3 |
| Polarizability | 11.2±0.5 10-24cm3 |
| Surface Tension | 35.5±3.0 dyne/cm |
| Molar Volume | 107.2±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 196.2±23.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.8 mmHg at 25°C |
| Enthalpy of Vaporization: | 50.3±6.0 kJ/mol |
| Flash Point: | 98.3±0.0 °C |
| Index of Refraction: | 1.440 |
| Molar Refractivity: | 28.2±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -0.05 |
| ACD/LogD (pH 5.5): | -0.12 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 20.50 |
| ACD/LogD (pH 7.4): | -0.12 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 20.50 |
| Polar Surface Area: | 47 Å2 |
| Polarizability: | 11.2±0.5 10-24cm3 |
| Surface Tension: | 35.5±3.0 dyne/cm |
| Molar Volume: | 107.2±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) = -0.25 Log Kow (Exper. database match) = -0.21 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 184.08 (Adapted Stein & Brown method) Melting Pt (deg C): -15.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.126 (Mean VP of Antoine & Grain methods) BP (exp database): 191 deg C VP (exp database): 5.23E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.069e+005 log Kow used: -0.21 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: ULLMANN A21:159 Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7462e+005 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: ULLMANN A21:159 ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.49E-009 atm-m3/mole Group Method: 7.22E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.798E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.21 (exp database) Log Kaw used: -6.736 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.526 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0252 Biowin2 (Non-Linear Model) : 0.9986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2427 (weeks ) Biowin4 (Primary Survey Model) : 4.0386 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9890 Biowin6 (MITI Non-Linear Model): 0.9726 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9721 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): 6.97 Pa (0.0523 mm Hg) Log Koa (Koawin est ): 6.526 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.3E-007 Octanol/air (Koa) model: 8.24E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.55E-005 Mackay model : 3.44E-005 Octanol/air (Koa) model: 6.59E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.2040 E-12 cm3/molecule-sec Half-Life = 0.703 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.442 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): 2.5E-005 (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 : 2.440E-002 L/mol-sec Kb Half-Life at pH 8: 328.762 days Kb Half-Life at pH 7: 9.001 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.21 (expkow database) Volatilization from Water: Henry LC: 7.22E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.738E+005 hours (3.641E+004 days) Half-Life from Model Lake : 9.533E+006 hours (3.972E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0168 15.2 1000 Water 38.8 360 1000 Soil 61.2 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 577 hr
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