Isobutyl methacrylate C8H14O2 structure – Flashcards
Flashcard maker : Steven Ramirez
Contents
| Molecular Formula | C8H14O2 |
| Average mass | 142.196 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 155.0±0.0 °C at 760 mmHg |
| Flash Point | 41.7±0.0 °C |
| Molar Refractivity | 40.4±0.3 cm3 |
| Polarizability | 16.0±0.5 10-24cm3 |
| Surface Tension | 25.4±3.0 dyne/cm |
| Molar Volume | 159.3±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: | 155.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 3.1±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 39.2±3.0 kJ/mol |
| Flash Point: | 41.7±0.0 °C |
| Index of Refraction: | 1.421 |
| Molar Refractivity: | 40.4±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.76 |
| ACD/LogD (pH 5.5): | 2.57 |
| ACD/BCF (pH 5.5): | 53.15 |
| ACD/KOC (pH 5.5): | 598.06 |
| ACD/LogD (pH 7.4): | 2.57 |
| ACD/BCF (pH 7.4): | 53.15 |
| ACD/KOC (pH 7.4): | 598.06 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 16.0±0.5 10-24cm3 |
| Surface Tension: | 25.4±3.0 dyne/cm |
| Molar Volume: | 159.3±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) = 2.67 Log Kow (Exper. database match) = 2.66 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 149.47 (Adapted Stein & Brown method) Melting Pt (deg C): -54.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.18 (Mean VP of Antoine & Grain methods) BP (exp database): 155 deg C VP (exp database): 3.63E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 438.6 log Kow used: 2.66 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1300 mg/L (25 deg C) Exper. Ref: ULLMANN A21:159 Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1273.6 mg/L Wat Sol (Exper. database match) = 1300.00 Exper. Ref: ULLMANN A21:159 ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.39E-004 atm-m3/mole Group Method: 9.52E-004 atm-m3/mole Exper Database: 5.23E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.357E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (exp database) Log Kaw used: -1.670 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.330 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8540 Biowin2 (Non-Linear Model) : 0.9938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0251 (weeks ) Biowin4 (Primary Survey Model) : 3.8715 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6452 Biowin6 (MITI Non-Linear Model): 0.7878 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4823 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): 484 Pa (3.63 mm Hg) Log Koa (Koawin est ): 4.330 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.2E-009 Octanol/air (Koa) model: 5.25E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.24E-007 Mackay model : 4.96E-007 Octanol/air (Koa) model: 4.2E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.6849 E-12 cm3/molecule-sec Half-Life = 0.472 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.658 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): 3.6E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 53.31 Log Koc: 1.727 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.752E-003 L/mol-sec Kb Half-Life at pH 8: 12.537 years Kb Half-Life at pH 7: 125.369 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.348 (BCF = 22.29) log Kow used: 2.66 (expkow database) Volatilization from Water: Henry LC: 0.000523 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.552 hours Half-Life from Model Lake : 127.8 hours (5.326 days) Removal In Wastewater Treatment: Total removal: 21.52 percent Total biodegradation: 0.09 percent Total sludge adsorption: 3.11 percent Total to Air: 18.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.83 7.71 1000 Water 24.3 360 1000 Soil 73.7 720 1000 Sediment 0.22 3.24e+003 0 Persistence Time: 308 hr
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