Tris(2-dimethylaminoethyl)amine C12H30N4 structure – Flashcards
Flashcard maker : Ashlynn Thompson
| Molecular Formula | C12H30N4 |
| Average mass | 230.393 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 243.5±8.0 °C at 760 mmHg |
| Flash Point | 85.2±14.1 °C |
| Molar Refractivity | 72.5±0.3 cm3 |
| Polarizability | 28.8±0.5 10-24cm3 |
| Surface Tension | 32.9±3.0 dyne/cm |
| Molar Volume | 255.6±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 243.5±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 48.0±3.0 kJ/mol |
| Flash Point: | 85.2±14.1 °C |
| Index of Refraction: | 1.479 |
| Molar Refractivity: | 72.5±0.3 cm3 |
| #H bond acceptors: | 4 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 9 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.77 |
| ACD/LogD (pH 5.5): | -4.63 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -2.41 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 13 Å2 |
| Polarizability: | 28.8±0.5 10-24cm3 |
| Surface Tension: | 32.9±3.0 dyne/cm |
| Molar Volume: | 255.6±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) = -0.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.27 (Adapted Stein & Brown method) Melting Pt (deg C): 64.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00307 (Modified Grain method) Subcooled liquid VP: 0.00718 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): 1e+006 log Kow used: -0.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-014 atm-m3/mole Group Method: 1.07E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.307E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.87 (KowWin est) Log Kaw used: -12.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.501 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1832 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6708 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3633 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0137 Biowin6 (MITI Non-Linear Model): 0.0082 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.7848 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): 0.957 Pa (0.00718 mm Hg) Log Koa (Koawin est ): 11.501 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.13E-006 Octanol/air (Koa) model: 0.0778 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000113 Mackay model : 0.000251 Octanol/air (Koa) model: 0.862 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 335.6930 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.941 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000182 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1189 Log Koc: 3.075 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: -0.87 (estimated) Volatilization from Water: Henry LC: 1.07E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.306E+010 hours (3.461E+009 days) Half-Life from Model Lake : 9.061E+011 hours (3.775E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 9.66e-008 0.765 1000 Water 53.8 4.32e+003 1000 Soil 46.1 8.64e+003 1000 Sediment 0.106 3.89e+004 0 Persistence Time: 1.51e+003 hr
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