N-Pentyl-1-pentanamine C10H23N structure – Flashcards
Flashcard maker : Oscar Hall
Contents
| Molecular Formula | C10H23N |
| Average mass | 157.296 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 203.8±8.0 °C at 760 mmHg |
| Flash Point | 52.2±0.0 °C |
| Molar Refractivity | 52.0±0.3 cm3 |
| Polarizability | 20.6±0.5 10-24cm3 |
| Surface Tension | 26.2±3.0 dyne/cm |
| Molar Volume | 202.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- 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: | 203.8±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.3±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 44.0±3.0 kJ/mol |
| Flash Point: | 52.2±0.0 °C |
| Index of Refraction: | 1.427 |
| Molar Refractivity: | 52.0±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 8 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.82 |
| ACD/LogD (pH 5.5): | 0.58 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.90 |
| ACD/LogD (pH 7.4): | 0.65 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 2.23 |
| Polar Surface Area: | 12 Å2 |
| Polarizability: | 20.6±0.5 10-24cm3 |
| Surface Tension: | 26.2±3.0 dyne/cm |
| Molar Volume: | 202.4±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) = 3.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.14 (Adapted Stein & Brown method) Melting Pt (deg C): -6.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.318 (Mean VP of Antoine & Grain methods) MP (exp database): -7.85 deg C BP (exp database): 202.5 deg C VP (exp database): 1.53E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 444.4 log Kow used: 3.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 439.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.60E-004 atm-m3/mole Group Method: 2.08E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.481E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.76 (KowWin est) Log Kaw used: -2.184 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.944 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0433 Biowin2 (Non-Linear Model) : 0.9962 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4727 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2022 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6736 Biowin6 (MITI Non-Linear Model): 0.7640 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4267 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): 20.4 Pa (0.153 mm Hg) Log Koa (Koawin est ): 5.944 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.47E-007 Octanol/air (Koa) model: 2.16E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.31E-006 Mackay model : 1.18E-005 Octanol/air (Koa) model: 1.73E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.6525 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.385 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.54E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1794 Log Koc: 3.254 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 = 2.192 (BCF = 155.7) log Kow used: 3.76 (estimated) Volatilization from Water: Henry LC: 0.000208 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.81 hours Half-Life from Model Lake : 157.6 hours (6.568 days) Removal In Wastewater Treatment: Total removal: 26.93 percent Total biodegradation: 0.23 percent Total sludge adsorption: 19.40 percent Total to Air: 7.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.592 2.77 1000 Water 23.1 208 1000 Soil 75.1 416 1000 Sediment 1.15 1.87e+003 0 Persistence Time: 263 hr
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