N-Benzyl-N-methylethanolamine C10H15NO structure – Flashcards
Flashcard maker : Deloris Connelly
Contents
| Molecular Formula | C10H15NO |
| Average mass | 165.232 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 256.5±15.0 °C at 760 mmHg |
| Flash Point | 87.3±17.0 °C |
| Molar Refractivity | 50.3±0.3 cm3 |
| Polarizability | 20.0±0.5 10-24cm3 |
| Surface Tension | 41.4±3.0 dyne/cm |
| Molar Volume | 160.0±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 256.5±15.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 52.2±3.0 kJ/mol |
| Flash Point: | 87.3±17.0 °C |
| Index of Refraction: | 1.542 |
| Molar Refractivity: | 50.3±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.73 |
| ACD/LogD (pH 5.5): | -1.04 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | 0.67 |
| ACD/BCF (pH 7.4): | 1.31 |
| ACD/KOC (pH 7.4): | 27.40 |
| Polar Surface Area: | 23 Å2 |
| Polarizability: | 20.0±0.5 10-24cm3 |
| Surface Tension: | 41.4±3.0 dyne/cm |
| Molar Volume: | 160.0±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) = 0.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 276.58 (Adapted Stein & Brown method) Melting Pt (deg C): 48.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000366 (Modified Grain method) Subcooled liquid VP: 0.000599 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): 1.443e+005 log Kow used: 0.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8308e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.515E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.77 (KowWin est) Log Kaw used: -8.233 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.003 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7504 Biowin2 (Non-Linear Model) : 0.7952 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7612 (weeks ) Biowin4 (Primary Survey Model) : 3.4557 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3815 Biowin6 (MITI Non-Linear Model): 0.3262 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3999 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0799 Pa (0.000599 mm Hg) Log Koa (Koawin est ): 9.003 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.76E-005 Octanol/air (Koa) model: 0.000247 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00135 Mackay model : 0.003 Octanol/air (Koa) model: 0.0194 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.6410 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.342 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00218 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.49 Log Koc: 1.829 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: 0.77 (estimated) Volatilization from Water: Henry LC: 1.43E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.263E+006 hours (2.193E+005 days) Half-Life from Model Lake : 5.741E+007 hours (2.392E+006 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.00324 2.68 1000 Water 36.3 360 1000 Soil 63.7 720 1000 Sediment 0.07 3.24e+003 0 Persistence Time: 594 hr
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