N-Phenyl-1-(2-phenylethyl)-4-piperidinamine C19H24N2 structure – Flashcards
Flashcard maker : Thomas Alday
Contents
| Molecular Formula | C19H24N2 |
| Average mass | 280.407 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 424.6±38.0 °C at 760 mmHg |
| Flash Point | 161.9±17.7 °C |
| Molar Refractivity | 89.7±0.3 cm3 |
| Polarizability | 35.5±0.5 10-24cm3 |
| Surface Tension | 46.5±3.0 dyne/cm |
| Molar Volume | 260.7±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 424.6±38.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 67.9±3.0 kJ/mol |
| Flash Point: | 161.9±17.7 °C |
| Index of Refraction: | 1.604 |
| Molar Refractivity: | 89.7±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.92 |
| ACD/LogD (pH 5.5): | 1.15 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 4.65 |
| ACD/LogD (pH 7.4): | 2.60 |
| ACD/BCF (pH 7.4): | 24.59 |
| ACD/KOC (pH 7.4): | 131.11 |
| Polar Surface Area: | 15 Å2 |
| Polarizability: | 35.5±0.5 10-24cm3 |
| Surface Tension: | 46.5±3.0 dyne/cm |
| Molar Volume: | 260.7±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) = 4.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 392.30 (Adapted Stein & Brown method) Melting Pt (deg C): 140.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.72E-007 (Modified Grain method) Subcooled liquid VP: 1.28E-005 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): 51.86 log Kow used: 4.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.306 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.204E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.09 (KowWin est) Log Kaw used: -8.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.119 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4859 Biowin2 (Non-Linear Model) : 0.2834 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1589 (months ) Biowin4 (Primary Survey Model) : 2.9880 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1974 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5709 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): 0.00171 Pa (1.28E-005 mm Hg) Log Koa (Koawin est ): 12.119 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00176 Octanol/air (Koa) model: 0.323 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0597 Mackay model : 0.123 Octanol/air (Koa) model: 0.963 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 176.8258 E-12 cm3/molecule-sec Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.726 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0915 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.567E+004 Log Koc: 4.879 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 = 2.452 (BCF = 282.9) log Kow used: 4.09 (estimated) Volatilization from Water: Henry LC: 2.29E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.281E+006 hours (1.784E+005 days) Half-Life from Model Lake : 4.671E+007 hours (1.946E+006 days) Removal In Wastewater Treatment: Total removal: 34.34 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.98 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 0.00111 1.45 1000 Water 8.51 1.44e+003 1000 Soil 88.3 2.88e+003 1000 Sediment 3.18 1.3e+004 0 Persistence Time: 2.89e+003 hr
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