Trimethylamine C3H9N structure – Flashcards
Flashcard maker : Amber Moore
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
| Molecular Formula | C3H9N |
| Average mass | 59.110 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 2.8±3.0 °C at 760 mmHg |
| Flash Point | -61.7±4.7 °C |
| Molar Refractivity | 19.7±0.3 cm3 |
| Polarizability | 7.8±0.5 10-24cm3 |
| Surface Tension | 18.6±3.0 dyne/cm |
| Molar Volume | 85.3±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| 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: | 1.378 |
| Molar Refractivity: | 19.7±0.3 cm3 |
| #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: | 3 Å2 |
| Polarizability: | 7.8±0.5 10-24cm3 |
| Surface Tension: | 18.6±3.0 dyne/cm |
| Molar Volume: | 85.3±3.0 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) = 0.04 Log Kow (Exper. database match) = 0.16 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 18.82 (Adapted Stein & Brown method) Melting Pt (deg C): -109.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -117.1 deg C BP (exp database): 2.8 deg C VP (exp database): 1.61E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: 0.16 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 8.9e+005 mg/L (30 deg C) Exper. Ref: SCHWEIZER,AE ET AL. (1978) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 890000.00 Exper. Ref: SCHWEIZER,AE ET AL. (1978) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.65E-005 atm-m3/mole Group Method: 1.28E-004 atm-m3/mole Exper Database: 1.04E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.911E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.16 (exp database) Log Kaw used: -2.371 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.531 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5141 Biowin2 (Non-Linear Model) : 0.4866 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8137 (weeks ) Biowin4 (Primary Survey Model) : 3.4745 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4527 Biowin6 (MITI Non-Linear Model): 0.5094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4775 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): 2.15E+005 Pa (1.61E+003 mm Hg) Log Koa (Koawin est ): 2.531 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.4E-011 Octanol/air (Koa) model: 8.34E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.05E-010 Mackay model : 1.12E-009 Octanol/air (Koa) model: 6.67E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.7944 E-12 cm3/molecule-sec Half-Life = 0.153 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.839 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.11E-010 (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: 0.16 (expkow database) Volatilization from Water: Henry LC: 0.000104 atm-m3/mole (Henry experimental database) Half-Life from Model River: 5.113 hours Half-Life from Model Lake : 120.2 hours (5.01 days) Removal In Wastewater Treatment: Total removal: 6.83 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.68 percent Total to Air: 5.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.31 3.67 1000 Water 51.8 360 1000 Soil 46.8 720 1000 Sediment 0.096 3.24e+003 0 Persistence Time: 219 hr
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