N,N-Dimethylbutylamine C6H15N structure – Flashcards
Flashcard maker : Sean Mitchell
Contents
| Molecular Formula | C6H15N |
| Average mass | 101.190 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 95.9±3.0 °C at 760 mmHg |
| Flash Point | -3.9±0.0 °C |
| Molar Refractivity | 33.6±0.3 cm3 |
| Polarizability | 13.3±0.5 10-24cm3 |
| Surface Tension | 23.4±3.0 dyne/cm |
| Molar Volume | 134.8±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: | 95.9±3.0 °C at 760 mmHg |
| Vapour Pressure: | 44.6±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 33.5±3.0 kJ/mol |
| Flash Point: | -3.9±0.0 °C |
| Index of Refraction: | 1.412 |
| Molar Refractivity: | 33.6±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.66 |
| ACD/LogD (pH 5.5): | -1.40 |
| 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): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 3 Å2 |
| Polarizability: | 13.3±0.5 10-24cm3 |
| Surface Tension: | 23.4±3.0 dyne/cm |
| Molar Volume: | 134.8±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) = 1.51 Log Kow (Exper. database match) = 1.70 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 95.48 (Adapted Stein & Brown method) Melting Pt (deg C): -70.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 46.4 (Mean VP of Antoine & Grain methods) BP (exp database): 95 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.175e+004 log Kow used: 1.70 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 44037 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.54E-005 atm-m3/mole Group Method: 3.08E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.480E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (exp database) Log Kaw used: -2.457 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.157 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6025 Biowin2 (Non-Linear Model) : 0.7672 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0191 (weeks ) Biowin4 (Primary Survey Model) : 3.6828 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4757 Biowin6 (MITI Non-Linear Model): 0.5278 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7172 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): 5.91E+003 Pa (44.3 mm Hg) Log Koa (Koawin est ): 4.157 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.08E-010 Octanol/air (Koa) model: 3.52E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.83E-008 Mackay model : 4.06E-008 Octanol/air (Koa) model: 2.82E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 81.9428 E-12 cm3/molecule-sec Half-Life = 0.131 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.566 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.95E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 97.65 Log Koc: 1.990 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 = 0.609 (BCF = 4.064) log Kow used: 1.70 (expkow database) Volatilization from Water: Henry LC: 0.000308 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.939 hours Half-Life from Model Lake : 116.4 hours (4.85 days) Removal In Wastewater Treatment: Total removal: 14.29 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.75 percent Total to Air: 12.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.36 3.13 1000 Water 42.2 360 1000 Soil 56.3 720 1000 Sediment 0.114 3.24e+003 0 Persistence Time: 203 hr
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