N,N-Diethylcyclohexanamine C10H21N structure – Flashcards
Flashcard maker : Stephen Sanchez
| Molecular Formula | C10H21N |
| Average mass | 155.280 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 198.9±8.0 °C at 760 mmHg |
| Flash Point | 57.8±0.0 °C |
| Molar Refractivity | 50.2±0.4 cm3 |
| Polarizability | 19.9±0.5 10-24cm3 |
| Surface Tension | 29.6±5.0 dyne/cm |
| Molar Volume | 182.4±5.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 198.9±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.4±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 43.5±3.0 kJ/mol |
| Flash Point: | 57.8±0.0 °C |
| Index of Refraction: | 1.462 |
| Molar Refractivity: | 50.2±0.4 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.18 |
| ACD/LogD (pH 5.5): | -0.15 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | 0.06 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.24 |
| Polar Surface Area: | 3 Å2 |
| Polarizability: | 19.9±0.5 10-24cm3 |
| Surface Tension: | 29.6±5.0 dyne/cm |
| Molar Volume: | 182.4±5.0 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) = 3.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 194.10 (Adapted Stein & Brown method) Melting Pt (deg C): -15.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.511 (Mean VP of Antoine & Grain methods) BP (exp database): 193 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1134 log Kow used: 3.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3201.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.207E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.29 (KowWin est) Log Kaw used: -2.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.610 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4684 Biowin2 (Non-Linear Model) : 0.1948 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6012 (weeks-months) Biowin4 (Primary Survey Model) : 3.3357 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3761 Biowin6 (MITI Non-Linear Model): 0.3003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9066 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): 62.1 Pa (0.466 mm Hg) Log Koa (Koawin est ): 5.610 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.83E-008 Octanol/air (Koa) model: 1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.74E-006 Mackay model : 3.86E-006 Octanol/air (Koa) model: 8E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.0679 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.087 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.8E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 259.4 Log Koc: 2.414 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 = 1.834 (BCF = 68.17) log Kow used: 3.29 (estimated) Volatilization from Water: Henry LC: 0.000117 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.508 hours Half-Life from Model Lake : 186.4 hours (7.766 days) Removal In Wastewater Treatment: Total removal: 13.97 percent Total biodegradation: 0.14 percent Total sludge adsorption: 8.66 percent Total to Air: 5.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.152 2.17 1000 Water 14.4 900 1000 Soil 84.8 1.8e+003 1000 Sediment 0.636 8.1e+003 0 Persistence Time: 925 hr
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