Methanolamine CH5NO structure – Flashcards
Flashcard maker : Marguerite Castillo
| Molecular Formula | CH5NO |
| Average mass | 47.056 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 129.8±23.0 °C at 760 mmHg |
| Flash Point | 32.3±22.6 °C |
| Molar Refractivity | 11.8±0.3 cm3 |
| Polarizability | 4.7±0.5 10-24cm3 |
| Surface Tension | 42.0±3.0 dyne/cm |
| Molar Volume | 46.2±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 129.8±23.0 °C at 760 mmHg |
| Vapour Pressure: | 4.5±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 42.8±6.0 kJ/mol |
| Flash Point: | 32.3±22.6 °C |
| Index of Refraction: | 1.422 |
| Molar Refractivity: | 11.8±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 3 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -1.46 |
| ACD/LogD (pH 5.5): | -4.57 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -3.47 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 46 Å2 |
| Polarizability: | 4.7±0.5 10-24cm3 |
| Surface Tension: | 42.0±3.0 dyne/cm |
| Molar Volume: | 46.2±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) = -2.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.67 (Adapted Stein & Brown method) Melting Pt (deg C): -40.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 14.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -2.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.53E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.226E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.10 (KowWin est) Log Kaw used: -6.646 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.546 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0377 Biowin2 (Non-Linear Model) : 0.9897 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2796 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9526 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8160 Biowin6 (MITI Non-Linear Model): 0.9102 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1721 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): 1.85E+003 Pa (13.9 mm Hg) Log Koa (Koawin est ): 4.546 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-009 Octanol/air (Koa) model: 8.63E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-008 Mackay model : 1.29E-007 Octanol/air (Koa) model: 6.9E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.5417 E-12 cm3/molecule-sec Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.490 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.4E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -2.10 (estimated) Volatilization from Water: Henry LC: 5.53E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.263E+004 hours (3026 days) Half-Life from Model Lake : 7.924E+005 hours (3.302E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.162 4.98 1000 Water 36 208 1000 Soil 63.8 416 1000 Sediment 0.0622 1.87e+003 0 Persistence Time: 349 hr
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