N-Butyl-N-methyl-1-butanamine C9H21N structure – Flashcards
Flashcard maker : Aiden Boyd
Contents
| Molecular Formula | C9H21N |
| Average mass | 143.270 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 164.6±8.0 °C at 760 mmHg |
| Flash Point | 42.2±0.0 °C |
| Molar Refractivity | 47.5±0.3 cm3 |
| Polarizability | 18.8±0.5 10-24cm3 |
| Surface Tension | 25.9±3.0 dyne/cm |
| Molar Volume | 184.4±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 164.6±8.0 °C at 760 mmHg |
| Vapour Pressure: | 2.0±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 40.1±3.0 kJ/mol |
| Flash Point: | 42.2±0.0 °C |
| Index of Refraction: | 1.428 |
| Molar Refractivity: | 47.5±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 6 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.25 |
| ACD/LogD (pH 5.5): | -0.08 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | 0.59 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 3.95 |
| Polar Surface Area: | 3 Å2 |
| Polarizability: | 18.8±0.5 10-24cm3 |
| Surface Tension: | 25.9±3.0 dyne/cm |
| Molar Volume: | 184.4±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) = 2.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 164.00 (Adapted Stein & Brown method) Melting Pt (deg C): -33.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.08 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2332 log Kow used: 2.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1526.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-004 atm-m3/mole Group Method: 7.39E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.681E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.99 (KowWin est) Log Kaw used: -2.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.077 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6909 Biowin2 (Non-Linear Model) : 0.9197 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2244 (weeks ) Biowin4 (Primary Survey Model) : 3.8912 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4988 Biowin6 (MITI Non-Linear Model): 0.5461 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9570 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): 252 Pa (1.89 mm Hg) Log Koa (Koawin est ): 5.077 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.19E-008 Octanol/air (Koa) model: 2.93E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.3E-007 Mackay model : 9.52E-007 Octanol/air (Koa) model: 2.34E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 94.0912 E-12 cm3/molecule-sec Half-Life = 0.114 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.364 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.91E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 641.9 Log Koc: 2.807 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 = 1.599 (BCF = 39.68) log Kow used: 2.99 (estimated) Volatilization from Water: Henry LC: 0.000739 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.17 hours Half-Life from Model Lake : 124 hours (5.168 days) Removal In Wastewater Treatment: Total removal: 27.84 percent Total biodegradation: 0.10 percent Total sludge adsorption: 4.76 percent Total to Air: 22.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.624 2.73 1000 Water 21.4 360 1000 Soil 77.7 720 1000 Sediment 0.351 3.24e+003 0 Persistence Time: 331 hr
