Di-sec-butylamine C8H19N structure – Flashcards
Flashcard maker : Jacoby Flores
Contents
| Molecular Formula | C8H19N |
| Average mass | 129.243 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 137.4±8.0 °C at 760 mmHg |
| Flash Point | 19.1±9.3 °C |
| Molar Refractivity | 42.6±0.3 cm3 |
| Polarizability | 16.9±0.5 10-24cm3 |
| Surface Tension | 23.1±3.0 dyne/cm |
| Molar Volume | 170.2±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: | 137.4±8.0 °C at 760 mmHg |
| Vapour Pressure: | 7.1±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.5±3.0 kJ/mol |
| Flash Point: | 19.1±9.3 °C |
| Index of Refraction: | 1.415 |
| Molar Refractivity: | 42.6±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.39 |
| ACD/LogD (pH 5.5): | -0.71 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -0.62 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 12 Å2 |
| Polarizability: | 16.9±0.5 10-24cm3 |
| Surface Tension: | 23.1±3.0 dyne/cm |
| Molar Volume: | 170.2±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) = 2.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 135.12 (Adapted Stein & Brown method) Melting Pt (deg C): -52.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.98 (Mean VP of Antoine & Grain methods) BP (exp database): 135 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5383 log Kow used: 2.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12028 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.11E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.521E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.63 (KowWin est) Log Kaw used: -2.429 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.059 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8398 Biowin2 (Non-Linear Model) : 0.9075 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9380 (weeks ) Biowin4 (Primary Survey Model) : 3.7045 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3600 Biowin6 (MITI Non-Linear Model): 0.3202 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4154 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): 981 Pa (7.36 mm Hg) Log Koa (Koawin est ): 5.059 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.06E-009 Octanol/air (Koa) model: 2.81E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.1E-007 Mackay model : 2.45E-007 Octanol/air (Koa) model: 2.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.3501 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.163 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.77E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 406.8 Log Koc: 2.609 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 = 1.323 (BCF = 21.03) log Kow used: 2.63 (estimated) Volatilization from Water: Henry LC: 9.11E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.467 hours Half-Life from Model Lake : 187.7 hours (7.82 days) Removal In Wastewater Treatment: Total removal: 7.84 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.32 percent Total to Air: 4.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.347 2.33 1000 Water 24.3 360 1000 Soil 75.1 720 1000 Sediment 0.21 3.24e+003 0 Persistence Time: 399 hr
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