N-Ethyl-N-methylethanamine C5H13N structure – Flashcards
Flashcard maker : Kael Dunlap
Contents
| Molecular Formula | C5H13N |
| Average mass | 87.163 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 63.7±8.0 °C at 760 mmHg |
| Flash Point | -23.9±0.0 °C |
| Molar Refractivity | 28.9±0.3 cm3 |
| Polarizability | 11.5±0.5 10-24cm3 |
| Surface Tension | 22.2±3.0 dyne/cm |
| Molar Volume | 118.3±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| Boiling Point: | 63.7±8.0 °C at 760 mmHg |
| Vapour Pressure: | 169.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.6±3.0 kJ/mol |
| Flash Point: | -23.9±0.0 °C |
| Index of Refraction: | 1.404 |
| Molar Refractivity: | 28.9±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.13 |
| ACD/LogD (pH 5.5): | -1.93 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -1.66 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 3 Å2 |
| Polarizability: | 11.5±0.5 10-24cm3 |
| Surface Tension: | 22.2±3.0 dyne/cm |
| Molar Volume: | 118.3±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) = 1.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 70.83 (Adapted Stein & Brown method) Melting Pt (deg C): -83.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 155 (Mean VP of Antoine & Grain methods) MP (exp database): -196 deg C BP (exp database): 66 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.73e+005 log Kow used: 1.02 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 4.5e+005 mg/L (49 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3063e+005 mg/L Wat Sol (Exper. database match) = 450000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.44E-005 atm-m3/mole Group Method: 1.86E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.028E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.02 (KowWin est) Log Kaw used: -2.580 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.600 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5008 Biowin2 (Non-Linear Model) : 0.3889 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7517 (weeks ) Biowin4 (Primary Survey Model) : 3.4340 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4681 Biowin6 (MITI Non-Linear Model): 0.5217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4255 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): 2.03E+004 Pa (152 mm Hg) Log Koa (Koawin est ): 3.600 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.48E-010 Octanol/air (Koa) model: 9.77E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.35E-009 Mackay model : 1.18E-008 Octanol/air (Koa) model: 7.82E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 84.9718 E-12 cm3/molecule-sec Half-Life = 0.126 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.511 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.59E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 55.47 Log Koc: 1.744 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 = 0.086 (BCF = 1.219) log Kow used: 1.02 (estimated) Volatilization from Water: Henry LC: 0.000186 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.892 hours Half-Life from Model Lake : 120.7 hours (5.031 days) Removal In Wastewater Treatment: Total removal: 10.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.67 percent Total to Air: 8.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.35 3.02 1000 Water 50.5 360 1000 Soil 48.1 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 194 hr
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