2-Pentanamine C5H13N structure – Flashcards
Flashcard maker : Jonathan Walsh
Contents
| Molecular Formula | C5H13N |
| Average mass | 87.163 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 92.7±8.0 °C at 760 mmHg |
| Flash Point | 35.0±0.0 °C |
| Molar Refractivity | 28.7±0.3 cm3 |
| Polarizability | 11.4±0.5 10-24cm3 |
| Surface Tension | 25.0±3.0 dyne/cm |
| Molar Volume | 115.1±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: | 92.7±8.0 °C at 760 mmHg |
| Vapour Pressure: | 51.1±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 33.2±3.0 kJ/mol |
| Flash Point: | 35.0±0.0 °C |
| Index of Refraction: | 1.413 |
| Molar Refractivity: | 28.7±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.28 |
| ACD/LogD (pH 5.5): | -2.00 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -1.89 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 26 Å2 |
| Polarizability: | 11.4±0.5 10-24cm3 |
| Surface Tension: | 25.0±3.0 dyne/cm |
| Molar Volume: | 115.1±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) = 1.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 97.33 (Adapted Stein & Brown method) Melting Pt (deg C): -57.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 52.7 (Mean VP of Antoine & Grain methods) BP (exp database): 92 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.097e+005 log Kow used: 1.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 81296 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.35E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.510E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.25 (KowWin est) Log Kaw used: -3.017 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.267 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8599 Biowin2 (Non-Linear Model) : 0.9469 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0310 (weeks ) Biowin4 (Primary Survey Model) : 3.7653 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5351 Biowin6 (MITI Non-Linear Model): 0.6278 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7404 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.72E+003 Pa (50.4 mm Hg) Log Koa (Koawin est ): 4.267 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.46E-010 Octanol/air (Koa) model: 4.54E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.61E-008 Mackay model : 3.57E-008 Octanol/air (Koa) model: 3.63E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.0881 E-12 cm3/molecule-sec Half-Life = 0.232 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.785 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.59E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 93.81 Log Koc: 1.972 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 = 0.264 (BCF = 1.838) log Kow used: 1.25 (estimated) Volatilization from Water: Henry LC: 2.35E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 24.21 hours (1.009 days) Half-Life from Model Lake : 342.4 hours (14.27 days) Removal In Wastewater Treatment: Total removal: 3.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 1.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.952 5.57 1000 Water 42.1 360 1000 Soil 56.9 720 1000 Sediment 0.0899 3.24e+003 0 Persistence Time: 327 hr
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