Hexyl methacrylate C10H18O2 structure – Flashcards
Flashcard maker : Candace Young
Contents
| Molecular Formula | C10H18O2 |
| Average mass | 170.249 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 162.0±0.0 °C at 760 mmHg |
| Flash Point | 72.1±7.0 °C |
| Molar Refractivity | 49.7±0.3 cm3 |
| Polarizability | 19.7±0.5 10-24cm3 |
| Surface Tension | 27.6±3.0 dyne/cm |
| Molar Volume | 192.0±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 162.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 2.2±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 39.9±3.0 kJ/mol |
| Flash Point: | 72.1±7.0 °C |
| Index of Refraction: | 1.431 |
| Molar Refractivity: | 49.7±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 7 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.00 |
| ACD/LogD (pH 5.5): | 3.90 |
| ACD/BCF (pH 5.5): | 542.57 |
| ACD/KOC (pH 5.5): | 3154.46 |
| ACD/LogD (pH 7.4): | 3.90 |
| ACD/BCF (pH 7.4): | 542.57 |
| ACD/KOC (pH 7.4): | 3154.46 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 19.7±0.5 10-24cm3 |
| Surface Tension: | 27.6±3.0 dyne/cm |
| Molar Volume: | 192.0±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) = 3.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.90 (Adapted Stein & Brown method) Melting Pt (deg C): -19.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.297 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 39.97 log Kow used: 3.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 76.726 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.97E-004 atm-m3/mole Group Method: 1.58E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.665E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.73 (KowWin est) Log Kaw used: -1.612 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.342 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9491 Biowin2 (Non-Linear Model) : 0.9985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2615 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1001 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8097 Biowin6 (MITI Non-Linear Model): 0.9089 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5140 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): 36.3 Pa (0.272 mm Hg) Log Koa (Koawin est ): 5.342 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.27E-008 Octanol/air (Koa) model: 5.4E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.99E-006 Mackay model : 6.62E-006 Octanol/air (Koa) model: 4.32E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.5194 E-12 cm3/molecule-sec Half-Life = 0.419 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.030 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 4.8E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 216.3 Log Koc: 2.335 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec Kb Half-Life at pH 8: 8.054 years Kb Half-Life at pH 7: 80.536 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.173 (BCF = 148.8) log Kow used: 3.73 (estimated) Volatilization from Water: Henry LC: 0.00158 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.815 hours Half-Life from Model Lake : 129.2 hours (5.384 days) Removal In Wastewater Treatment: Total removal: 48.67 percent Total biodegradation: 0.17 percent Total sludge adsorption: 16.03 percent Total to Air: 32.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.78 7.1 1000 Water 21.1 208 1000 Soil 76.2 416 1000 Sediment 0.989 1.87e+003 0 Persistence Time: 244 hr
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