tert-Butyldimethylamine C6H15N structure – Flashcards
Flashcard maker : Ruth Blanco
| Molecular Formula | C6H15N |
| Average mass | 101.190 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 75.7±8.0 °C at 760 mmHg |
| Flash Point | -11.0±8.5 °C |
| Molar Refractivity | 33.5±0.3 cm3 |
| Polarizability | 13.3±0.5 10-24cm3 |
| Surface Tension | 21.9±3.0 dyne/cm |
| Molar Volume | 134.9±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- 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: | 75.7±8.0 °C at 760 mmHg |
| Vapour Pressure: | 103.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 31.7±3.0 kJ/mol |
| Flash Point: | -11.0±8.5 °C |
| Index of Refraction: | 1.412 |
| Molar Refractivity: | 33.5±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.29 |
| ACD/LogD (pH 5.5): | -1.49 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -0.88 |
| 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: | 21.9±3.0 dyne/cm |
| Molar Volume: | 134.9±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) = 1.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 70.85 (Adapted Stein & Brown method) Melting Pt (deg C): -76.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 127 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.519e+004 log Kow used: 1.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0839e+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 : 8.54E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.249E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.40 (KowWin est) Log Kaw used: -2.457 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.857 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3102 Biowin2 (Non-Linear Model) : 0.0852 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5086 (weeks-months) Biowin4 (Primary Survey Model) : 3.2603 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3959 Biowin6 (MITI Non-Linear Model): 0.3232 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9709 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): 1.65E+004 Pa (124 mm Hg) Log Koa (Koawin est ): 3.857 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.81E-010 Octanol/air (Koa) model: 1.77E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.55E-009 Mackay model : 1.45E-008 Octanol/air (Koa) model: 1.41E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.0314 E-12 cm3/molecule-sec Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.859 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.05E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 65.46 Log Koc: 1.816 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 = 0.379 (BCF = 2.391) log Kow used: 1.40 (estimated) Volatilization from Water: Henry LC: 8.54E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.923 hours Half-Life from Model Lake : 170.8 hours (7.116 days) Removal In Wastewater Treatment: Total removal: 6.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 percent Total to Air: 4.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.777 3.72 1000 Water 45.2 900 1000 Soil 53.9 1.8e+003 1000 Sediment 0.109 8.1e+003 0 Persistence Time: 395 hr
Click to predict properties on the Chemicalize site
