Stovine C14H21NO2 structure
Molecular Formula | C14H21NO2 |
Average mass | 235.322 Da |
Density | 1.0±0.1 g/cm3 |
Boiling Point | 310.8±25.0 °C at 760 mmHg |
Flash Point | 103.5±14.0 °C |
Molar Refractivity | 69.5±0.3 cm3 |
Polarizability | 27.6±0.5 10-24cm3 |
Surface Tension | 35.8±3.0 dyne/cm |
Molar Volume | 233.7±3.0 cm3 |
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.0±0.1 g/cm3 |
Boiling Point: | 310.8±25.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±0.7 mmHg at 25°C |
Enthalpy of Vaporization: | 55.2±3.0 kJ/mol |
Flash Point: | 103.5±14.0 °C |
Index of Refraction: | 1.507 |
Molar Refractivity: | 69.5±0.3 cm3 |
#H bond acceptors: | 3 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 6 |
#Rule of 5 Violations: | 0 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 299.83 (Adapted Stein & Brown method) Melting Pt (deg C): 69.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000747 (Modified Grain method) Subcooled liquid VP: 0.00197 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): 991.9 log Kow used: 2.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1349.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-008 atm-m3/mole Group Method: 2.68E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.332E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.89 (KowWin est) Log Kaw used: -5.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.550 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5486 Biowin2 (Non-Linear Model) : 0.8320 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3744 (weeks-months) Biowin4 (Primary Survey Model) : 3.3006 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4801 Biowin6 (MITI Non-Linear Model): 0.3263 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9264 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): 0.263 Pa (0.00197 mm Hg) Log Koa (Koawin est ): 8.550 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E-005 Octanol/air (Koa) model: 8.71E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000412 Mackay model : 0.000913 Octanol/air (Koa) model: 0.00692 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 82.4745 E-12 cm3/molecule-sec Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.556 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000663 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1506 Log Koc: 3.178 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.440E-002 L/mol-sec Kb Half-Life at pH 8: 1.525 years Kb Half-Life at pH 7: 15.247 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.523 (BCF = 33.38) log Kow used: 2.89 (estimated) Volatilization from Water: Henry LC: 2.68E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.351E+004 hours (1396 days) Half-Life from Model Lake : 3.657E+005 hours (1.524E+004 days) Removal In Wastewater Treatment: Total removal: 4.86 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.74 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 0.0841 3.11 1000 Water 17.3 900 1000 Soil 82.3 1.8e+003 1000 Sediment 0.31 8.1e+003 0 Persistence Time: 1.22e+003 hr