fonofos C10H15OPS2 structure – Flashcards
Flashcard maker : Amari Finch
Contents
| Molecular Formula | C10H15OPS2 |
| Average mass | 246.329 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 323.7±25.0 °C at 760 mmHg |
| Flash Point | 149.5±23.2 °C |
| Molar Refractivity | 68.8±0.4 cm3 |
| Polarizability | 27.3±0.5 10-24cm3 |
| Surface Tension | 46.6±5.0 dyne/cm |
| Molar Volume | 210.3±5.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.2±0.1 g/cm3 |
| Boiling Point: | 323.7±25.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.7 mmHg at 25°C |
| Enthalpy of Vaporization: | 54.3±3.0 kJ/mol |
| Flash Point: | 149.5±23.2 °C |
| Index of Refraction: | 1.568 |
| Molar Refractivity: | 68.8±0.4 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.94 |
| ACD/LogD (pH 5.5): | 3.97 |
| ACD/BCF (pH 5.5): | 608.09 |
| ACD/KOC (pH 5.5): | 3422.67 |
| ACD/LogD (pH 7.4): | 3.97 |
| ACD/BCF (pH 7.4): | 608.09 |
| ACD/KOC (pH 7.4): | 3422.67 |
| Polar Surface Area: | 76 Å2 |
| Polarizability: | 27.3±0.5 10-24cm3 |
| Surface Tension: | 46.6±5.0 dyne/cm |
| Molar Volume: | 210.3±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) = 4.02 Log Kow (Exper. database match) = 3.94 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.68 (Adapted Stein & Brown method) Melting Pt (deg C): 0.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00055 (Modified Grain method) MP (exp database): < 25 deg C BP (exp database): 130 @ 0.1 mm Hg deg C VP (exp database): 3.38E-04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.7 log Kow used: 3.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 15.7 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.729 mg/L Wat Sol (Exper. database match) = 15.70 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Nearest analog analysis: pesticides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-004 atm-m3/mole Group Method: Incomplete Exper Database: 6.98E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.666E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (exp database) Log Kaw used: -3.545 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.485 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7584 Biowin2 (Non-Linear Model) : 0.7875 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6768 (weeks-months) Biowin4 (Primary Survey Model) : 3.4972 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1201 Biowin6 (MITI Non-Linear Model): 0.0437 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4700 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): 0.0451 Pa (0.000338 mm Hg) Log Koa (Koawin est ): 7.485 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.66E-005 Octanol/air (Koa) model: 7.5E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0024 Mackay model : 0.0053 Octanol/air (Koa) model: 0.0006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.9863 E-12 cm3/molecule-sec Half-Life = 0.124 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.493 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00385 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 836.3 Log Koc: 2.922 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 = 2.334 (BCF = 215.7) log Kow used: 3.94 (expkow database) Volatilization from Water: Henry LC: 6.98E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 133.2 hours (5.552 days) Half-Life from Model Lake : 1585 hours (66.05 days) Removal In Wastewater Treatment: Total removal: 27.64 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.06 percent Total to Air: 0.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.132 2.99 1000 Water 16.8 900 1000 Soil 79.6 1.8e+003 1000 Sediment 3.44 8.1e+003 0 Persistence Time: 1.08e+003 hr
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