trimethylammonium C3H10N structure – Flashcards
Flashcard maker : Jacoby Flores
Molecular Formula | C3H10N |
Average mass | 60.118 Da |
Density | |
Boiling Point | 2.8±3.0 °C at 760 mmHg |
Flash Point | -61.7±4.7 °C |
Molar Refractivity | |
Polarizability | |
Surface Tension | |
Molar Volume |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | |
Boiling Point: | 2.8±3.0 °C at 760 mmHg |
Vapour Pressure: | 1716.5±0.0 mmHg at 25°C |
Enthalpy of Vaporization: | 22.9±0.0 kJ/mol |
Flash Point: | -61.7±4.7 °C |
Index of Refraction: | |
Molar Refractivity: | |
#H bond acceptors: | 1 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 0.06 |
ACD/LogD (pH 5.5): | -2.93 |
ACD/BCF (pH 5.5): | 1.00 |
ACD/KOC (pH 5.5): | 1.00 |
ACD/LogD (pH 7.4): | -2.14 |
ACD/BCF (pH 7.4): | 1.00 |
ACD/KOC (pH 7.4): | 1.00 |
Polar Surface Area: | 4 Å2 |
Polarizability: | |
Surface Tension: | |
Molar Volume: |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.84 (Adapted Stein & Brown method) Melting Pt (deg C): 86.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000781 (Modified Grain method) Subcooled liquid VP: 0.00301 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: -2.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11599 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.30E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.178E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.73 (KowWin est) Log Kaw used: -10.027 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.297 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7189 Biowin2 (Non-Linear Model) : 0.8961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0663 (weeks ) Biowin4 (Primary Survey Model) : 3.7610 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5253 Biowin6 (MITI Non-Linear Model): 0.7509 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1597 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): 0.401 Pa (0.00301 mm Hg) Log Koa (Koawin est ): 7.297 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.48E-006 Octanol/air (Koa) model: 4.86E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00027 Mackay model : 0.000598 Octanol/air (Koa) model: 0.000389 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.7944 E-12 cm3/molecule-sec Half-Life = 2.819 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 33.827 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000434 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.86 Log Koc: 1.172 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: -2.73 (estimated) Volatilization from Water: Henry LC: 2.3E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.974E+008 hours (8.224E+006 days) Half-Life from Model Lake : 2.153E+009 hours (8.972E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 5.42e-005 67.7 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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