DMPO C6H11NO structure – Flashcards
Flashcard maker : Gracie Stone
Contents
| Molecular Formula | C6H11NO |
| Average mass | 113.158 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 274.2±0.0 °C at 760 mmHg |
| Flash Point | 130.7±11.5 °C |
| Molar Refractivity | 33.4±0.4 cm3 |
| Polarizability | 13.2±0.5 10-24cm3 |
| Surface Tension | 29.4±5.0 dyne/cm |
| Molar Volume | 117.9±5.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 274.2±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 49.2±3.0 kJ/mol |
| Flash Point: | 130.7±11.5 °C |
| Index of Refraction: | 1.478 |
| Molar Refractivity: | 33.4±0.4 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -1.14 |
| ACD/LogD (pH 5.5): | 0.35 |
| ACD/BCF (pH 5.5): | 1.08 |
| ACD/KOC (pH 5.5): | 36.86 |
| ACD/LogD (pH 7.4): | 0.35 |
| ACD/BCF (pH 7.4): | 1.09 |
| ACD/KOC (pH 7.4): | 36.90 |
| Polar Surface Area: | 29 Å2 |
| Polarizability: | 13.2±0.5 10-24cm3 |
| Surface Tension: | 29.4±5.0 dyne/cm |
| Molar Volume: | 117.9±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) = -2.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.45 (Adapted Stein & Brown method) Melting Pt (deg C): 149.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.04E-008 (Modified Grain method) Subcooled liquid VP: 5.64E-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: -2.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1745.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.93E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.567E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.06 (KowWin est) Log Kaw used: -10.548 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.488 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5093 Biowin2 (Non-Linear Model) : 0.4169 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7348 (weeks-months) Biowin4 (Primary Survey Model) : 3.5296 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4836 Biowin6 (MITI Non-Linear Model): 0.5662 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2956 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): 7.52E-005 Pa (5.64E-007 mm Hg) Log Koa (Koawin est ): 8.488 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0399 Octanol/air (Koa) model: 7.55E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.59 Mackay model : 0.761 Octanol/air (Koa) model: 0.006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.6704 E-12 cm3/molecule-sec Half-Life = 2.914 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 34.969 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.676 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 356.9 Log Koc: 2.553 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: -2.06 (estimated) Volatilization from Water: Henry LC: 6.93E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.027E+008 hours (3.761E+007 days) Half-Life from Model Lake : 9.848E+009 hours (4.103E+008 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 2.66e-005 69.9 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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