N-Cyclohexylacetamide C8H15NO structure – Flashcards
Flashcard maker : Roman Peck
| Molecular Formula | C8H15NO |
| Average mass | 141.211 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 291.3±7.0 °C at 760 mmHg |
| Flash Point | 166.9±3.1 °C |
| Molar Refractivity | 40.8±0.4 cm3 |
| Polarizability | 16.2±0.5 10-24cm3 |
| Surface Tension | 32.3±5.0 dyne/cm |
| Molar Volume | 147.7±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 291.3±7.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.6 mmHg at 25°C |
| Enthalpy of Vaporization: | 53.1±3.0 kJ/mol |
| Flash Point: | 166.9±3.1 °C |
| Index of Refraction: | 1.464 |
| Molar Refractivity: | 40.8±0.4 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.01 |
| ACD/LogD (pH 5.5): | 1.72 |
| ACD/BCF (pH 5.5): | 11.86 |
| ACD/KOC (pH 5.5): | 204.45 |
| ACD/LogD (pH 7.4): | 1.72 |
| ACD/BCF (pH 7.4): | 11.86 |
| ACD/KOC (pH 7.4): | 204.45 |
| Polar Surface Area: | 29 Å2 |
| Polarizability: | 16.2±0.5 10-24cm3 |
| Surface Tension: | 32.3±5.0 dyne/cm |
| Molar Volume: | 147.7±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) = 1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 288.68 (Adapted Stein & Brown method) Melting Pt (deg C): 79.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00108 (Modified Grain method) Subcooled liquid VP: 0.00355 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): 3751 log Kow used: 1.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61406 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.46E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.350E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (KowWin est) Log Kaw used: -5.739 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.309 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8905 Biowin2 (Non-Linear Model) : 0.9757 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8329 (weeks ) Biowin4 (Primary Survey Model) : 3.8494 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5301 Biowin6 (MITI Non-Linear Model): 0.6005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3720 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): 0.473 Pa (0.00355 mm Hg) Log Koa (Koawin est ): 7.309 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.34E-006 Octanol/air (Koa) model: 5E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000229 Mackay model : 0.000507 Octanol/air (Koa) model: 0.0004 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.7008 E-12 cm3/molecule-sec Half-Life = 0.433 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.196 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000368 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 34.36 Log Koc: 1.536 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 = 0.512 (BCF = 3.247) log Kow used: 1.57 (estimated) Volatilization from Water: Henry LC: 4.46E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.56E+004 hours (650 days) Half-Life from Model Lake : 1.703E+005 hours (7095 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.509 10.4 1000 Water 32.2 360 1000 Soil 67.2 720 1000 Sediment 0.0796 3.24e+003 0 Persistence Time: 505 hr
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