1-monomyristin C17H34O4 structure – Flashcards
Flashcard maker : Mike Bryan
| Molecular Formula | C17H34O4 |
| Average mass | 302.449 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 424.8±25.0 °C at 760 mmHg |
| Flash Point | 141.3±16.7 °C |
| Molar Refractivity | 85.6±0.3 cm3 |
| Polarizability | 33.9±0.5 10-24cm3 |
| Surface Tension | 37.9±3.0 dyne/cm |
| Molar Volume | 308.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 424.8±25.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±2.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 78.5±6.0 kJ/mol |
| Flash Point: | 141.3±16.7 °C |
| Index of Refraction: | 1.468 |
| Molar Refractivity: | 85.6±0.3 cm3 |
| #H bond acceptors: | 4 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 16 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.10 |
| ACD/LogD (pH 5.5): | 5.36 |
| ACD/BCF (pH 5.5): | 7037.28 |
| ACD/KOC (pH 5.5): | 19749.85 |
| ACD/LogD (pH 7.4): | 5.36 |
| ACD/BCF (pH 7.4): | 7037.27 |
| ACD/KOC (pH 7.4): | 19749.82 |
| Polar Surface Area: | 67 Å2 |
| Polarizability: | 33.9±0.5 10-24cm3 |
| Surface Tension: | 37.9±3.0 dyne/cm |
| Molar Volume: | 308.0±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) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 401.94 (Adapted Stein & Brown method) Melting Pt (deg C): 139.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.81E-009 (Modified Grain method) Subcooled liquid VP: 6.8E-008 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): 1.265 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.805 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-008 atm-m3/mole Group Method: 3.08E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.513E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: -6.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.945 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2036 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2893 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1683 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1199 Biowin6 (MITI Non-Linear Model): 0.9849 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0742 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): 9.07E-006 Pa (6.8E-008 mm Hg) Log Koa (Koawin est ): 10.945 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.331 Octanol/air (Koa) model: 0.0216 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.923 Mackay model : 0.964 Octanol/air (Koa) model: 0.634 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.2143 E-12 cm3/molecule-sec Half-Life = 0.332 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.984 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.943 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 50.17 Log Koc: 1.700 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 = 1.882 (BCF = 76.19) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 1.24E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.212E+004 hours (3422 days) Half-Life from Model Lake : 8.96E+005 hours (3.733E+004 days) Removal In Wastewater Treatment: Total removal: 63.62 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.05 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 0.671 7.97 1000 Water 21.4 208 1000 Soil 70.7 416 1000 Sediment 7.13 1.87e+003 0 Persistence Time: 359 hr
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