n-butyl methacrylate C8H14O2 structure – Flashcards
Flashcard maker : Jessica Forbes
Contents
| Molecular Formula | C8H14O2 |
| Average mass | 142.196 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 160.0±0.0 °C at 760 mmHg |
| Flash Point | 50.6±0.0 °C |
| Molar Refractivity | 40.5±0.3 cm3 |
| Polarizability | 16.0±0.5 10-24cm3 |
| Surface Tension | 26.4±3.0 dyne/cm |
| Molar Volume | 159.0±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: | 160.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 2.4±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 39.7±3.0 kJ/mol |
| Flash Point: | 50.6±0.0 °C |
| Index of Refraction: | 1.423 |
| Molar Refractivity: | 40.5±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.94 |
| ACD/LogD (pH 5.5): | 2.66 |
| ACD/BCF (pH 5.5): | 61.94 |
| ACD/KOC (pH 5.5): | 667.31 |
| ACD/LogD (pH 7.4): | 2.66 |
| ACD/BCF (pH 7.4): | 61.94 |
| ACD/KOC (pH 7.4): | 667.31 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 16.0±0.5 10-24cm3 |
| Surface Tension: | 26.4±3.0 dyne/cm |
| Molar Volume: | 159.0±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) = 2.75 Log Kow (Exper. database match) = 2.88 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 162.62 (Adapted Stein & Brown method) Melting Pt (deg C): -42.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.51 (Mean VP of Antoine & Grain methods) MP (exp database): -75 deg C BP (exp database): 160 deg C VP (exp database): 2.12E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 284.6 log Kow used: 2.88 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 800 mg/L (25 deg C) Exper. Ref: ULLMANN A21:159 Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 759.95 mg/L Wat Sol (Exper. database match) = 800.00 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: 7.92E-004 atm-m3/mole Exper Database: 4.96E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.650E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.88 (exp database) Log Kaw used: -1.693 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.573 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9625 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3235 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1406 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7943 Biowin6 (MITI Non-Linear Model): 0.9047 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4620 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): 283 Pa (2.12 mm Hg) Log Koa (Koawin est ): 4.573 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E-008 Octanol/air (Koa) model: 9.18E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.83E-007 Mackay model : 8.49E-007 Octanol/air (Koa) model: 7.35E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.6933 E-12 cm3/molecule-sec Half-Life = 0.471 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.656 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): 6.16E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 63.6 Log Koc: 1.803 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 = 1.518 (BCF = 32.93) log Kow used: 2.88 (expkow database) Volatilization from Water: Henry LC: 0.000496 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.624 hours Half-Life from Model Lake : 128.6 hours (5.359 days) Removal In Wastewater Treatment: Total removal: 21.68 percent Total biodegradation: 0.10 percent Total sludge adsorption: 4.18 percent Total to Air: 17.39 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.04 7.71 1000 Water 24.4 208 1000 Soil 73.3 416 1000 Sediment 0.254 1.87e+003 0 Persistence Time: 232 hr
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