Ethyl oleate C20H38O2 structure – Flashcards
Flashcard maker : Lesly Nixon
Contents
| Molecular Formula | C20H38O2 |
| Average mass | 310.514 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 385.9±21.0 °C at 760 mmHg |
| Flash Point | 91.8±20.4 °C |
| Molar Refractivity | 96.5±0.3 cm3 |
| Polarizability | 38.3±0.5 10-24cm3 |
| Surface Tension | 31.0±3.0 dyne/cm |
| Molar Volume | 355.8±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 385.9±21.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.9 mmHg at 25°C |
| Enthalpy of Vaporization: | 63.5±3.0 kJ/mol |
| Flash Point: | 91.8±20.4 °C |
| Index of Refraction: | 1.455 |
| Molar Refractivity: | 96.5±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 17 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 8.69 |
| ACD/LogD (pH 5.5): | 8.17 |
| ACD/BCF (pH 5.5): | 946041.50 |
| ACD/KOC (pH 5.5): | 659363.94 |
| ACD/LogD (pH 7.4): | 8.17 |
| ACD/BCF (pH 7.4): | 946041.50 |
| ACD/KOC (pH 7.4): | 659363.94 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 38.3±0.5 10-24cm3 |
| Surface Tension: | 31.0±3.0 dyne/cm |
| Molar Volume: | 355.8±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) = 8.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.17 (Adapted Stein & Brown method) Melting Pt (deg C): 89.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.07E-005 (Modified Grain method) MP (exp database): 5.8 deg C BP (exp database): 216-218 @ 15 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.000579 log Kow used: 8.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0007763 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.91E-002 atm-m3/mole Group Method: 1.04E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.283E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.51 (KowWin est) Log Kaw used: -0.107 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.617 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8823 Biowin2 (Non-Linear Model) : 0.9893 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9515 (weeks ) Biowin4 (Primary Survey Model) : 3.8978 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8865 Biowin6 (MITI Non-Linear Model): 0.9273 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7739 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): 0.00809 Pa (6.07E-005 mm Hg) Log Koa (Koawin est ): 8.617 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000371 Octanol/air (Koa) model: 0.000102 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0132 Mackay model : 0.0288 Octanol/air (Koa) model: 0.00806 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.1620 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 83.7620 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.685 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.532 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.021 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.152E+005 Log Koc: 5.061 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec Kb Half-Life at pH 8: 281.632 days Kb Half-Life at pH 7: 7.711 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.246 (BCF = 17.61) log Kow used: 8.51 (estimated) Volatilization from Water: Henry LC: 0.0104 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.897 hours Half-Life from Model Lake : 168.5 hours (7.019 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0497 1.3 1000 Water 3.76 360 1000 Soil 28 720 1000 Sediment 68.2 3.24e+003 0 Persistence Time: 1.24e+003 hr
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