Trifluoroamine F3N structure
Molecular Formula | F3N |
Average mass | 71.002 Da |
Density | 1.4±0.1 g/cm3 |
Boiling Point | -128.8±9.0 °C at 760 mmHg |
Flash Point | |
Molar Refractivity | 6.3±0.3 cm3 |
Polarizability | 2.5±0.5 10-24cm3 |
Surface Tension | 7.5±3.0 dyne/cm |
Molar Volume | 52.1±3.0 cm3 |
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.4±0.1 g/cm3 |
Boiling Point: | -128.8±9.0 °C at 760 mmHg |
Vapour Pressure: | 109798.7±0.2 mmHg at 25°C |
Enthalpy of Vaporization: | 11.6±0.0 kJ/mol |
Flash Point: | |
Index of Refraction: | 1.187 |
Molar Refractivity: | 6.3±0.3 cm3 |
#H bond acceptors: | 1 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#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) = -1.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.40 (Adapted Stein & Brown method) Melting Pt (deg C): 150.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.25E-008 (Modified Grain method) Subcooled liquid VP: 4.29E-007 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): 1e+006 log Kow used: -1.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.38E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.102E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.60 (KowWin est) Log Kaw used: 0.751 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -2.351 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7137 Biowin2 (Non-Linear Model) : 0.8808 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0423 (weeks ) Biowin4 (Primary Survey Model) : 3.7453 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5530 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 5.72E-005 Pa (4.29E-007 mm Hg) Log Koa (Koawin est ): -2.351 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0524 Octanol/air (Koa) model: 1.09E-015 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.655 Mackay model : 0.808 Octanol/air (Koa) model: 8.75E-014 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.731 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.500 (BCF = 3.162) log Kow used: -1.60 (estimated) Volatilization from Water: Henry LC: 0.138 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.8634 hours (51.80 min) Half-Life from Model Lake : 80.07 hours (3.336 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.16 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.27 percent Total to Air: 97.87 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 43.7 1e+005 1000 Water 53.6 360 1000 Soil 2.59 720 1000 Sediment 0.0981 3.24e+003 0 Persistence Time: 168 hr